AKos
Consulting & Solutions GmbH
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a chemoinformatics company
 

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AKosSamples Updated every 24 hours

Delivering molecules for research

 7.8 Million Molecules available to order
5.4 Million Molecules available on stock

 Managed from enquiry to delivery
From
single molecules to screening libraries of thousands of molecules

 AKosSamples  has built the trust of hundreds of customers, from multinational pharmaceutical companies to contract and university research labs across the globe. With over ten years of experience of supplying research molecules, AKosSamples has the knowledge, experience and systems to take care of the complexities of sourcing research molecules for you.

The AKosSamples custom synthesis service is able to rapidly tender requests across its growing network of chemistry laboratories to provide research molecules not otherwise available. 

Full Structure Search in CWM Global Search
 

You can get anytime a 30 day evaluation key, if you have no license of CWM Global Search. You can do a full structure search using AKosSamples. You can do a substructure search using PubChem as source. You can limit the list to AKosSamples by choosing in the "Advanced Search" in the PubChem result AKos Cons... as source - it is in pull down option at the bottom.

Use CWM Global Search to search compounds on the Internet by structure. Sometime the situation arises that you have the AKos Number, but not the structure. Enter in the link below the AKos Number and you see the structure, and you can continue to search the Internet for more information: http://akosservice.de/akossamplesservice/php/akossamplesretrieval.php?IDNUMBERS=AKOS000121004

Contact Information for compound requests:
Greta Auf der Maur
Tel. +49 7621 162 2778
Email:


AKos Consulting & Solutions Deutschland GmbH (AKos GmbH)

Austr. 26
D-78585 Steinen
Germany
Tel.        +49 7627 970068
Fax:       +49 7627 970067
Mobil:    +49 171 526 9392

Email:
Please, use the keyword "Beilstein" in the subject (reference) line in the email to make sure that your email does not end up in a spam folder.

Would you  like to send a compound request?

Estimated prices: The pricing depends very heavily on commission and shipping charges per order. The prices given are estimates for an order of 3 compounds and a minimum order of 300 Euro.  

Larger orders and large quantities (> 250 mg) will be priced separately.

Delivery time: Compounds that are on stock can be delivered in less than 2 weeks after we have received your order. Even if the compounds are on stock it takes some time to get them through custom procedures, which are sometimes time consuming. This is the reason that it takes sometimes two weeks.

The AKosSamples Catalogue: download below as compressed SDFiles: 

 

size (MB)

 
AKOS_1stMillion.7z 211
AKOS_2ndMillion.7z 282
AKOS_3rdMillion.7z 268
AKOS_4thMillion.7z 256
AKOS_5thMillion.7z 147
AKOS_6thMillion.7z 49
Updates as of January 10, 2012  
http://akosgmbh.de/ftp/edition2/Update_1_Dec_2011/AKOS_ED2_UPDATE_11_12_30_1.7z 151
ttp://akosgmbh.de/ftp/edition2/Update_1_Dec_2011/AKOS_ED2_UPDATE_11_12_30_2.7z 202
http://akosgmbh.de/ftp/edition2/Update_1_Dec_2011/AKOS_ED2_UPDATE_11_12_30_3.7z  165
Click the file name to begin download, or right click and select "Save Target As" to download the installation file.

For ftp download configure a ftp client like shown below.
You can download the zip program from
http://www.7-zip.org/

 

Size of the database: 5.4 million compounds on stock, 7.8 million compounds in total. The compounds that are not on stock are predominantly compounds that were synthesized earlier, but are not available any longer.

We asked our chemists that do custom synthesis to add a few virtual compounds that describe there expertise. These are compounds that can be made with high confidence.

SDFile Example:: AKos_Samples_small_example.sdf

Symyx 07291014562D 1 1.00000 0.00000 0

10 9 0 0 0 999 V2000
-0.4071 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0
0.3054 0.2550 0.0000 N 0 0 0 0 0 0 0 0 0
-0.4071 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0
1.0179 -0.1575 0.0000 C 0 0 3 0 0 0 0 0 0
-1.1196 0.2467 0.0000 C 0 0 3 0 0 0 0 0 0
-1.8321 -0.1575 0.0000 Br 0 0 0 0 0 0 0 0 0
1.7387 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0
1.0179 -0.9908 0.0000 C 0 0 0 0 0 0 0 0 0
0.8054 0.6342 0.0000 C 0 0 0 0 0 0 0 0 0
-1.1196 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0
3 1 2 0 0 0
4 2 1 0 0 0
5 1 1 0 0 0
5 6 1 4 0 0
7 4 1 0 0 0
8 4 1 0 0 0
9 4 1 0 0 0
10 5 1 0 0 0
M END
>  <AKOS_NUMBER>
AKOS000100100
>  <MOLWEIGHT>
208.09616
>  <MOLFORMULA>
C7 H14 Br N O
>  <INCHIKEY>
ASGVEEBOYNWWJR-UHFFFAOYSA-N
>  <INCHI>
InChI=1S/C7H14BrNO/c1-5(8)6(10)9-7(2,3)4/h5H,1-4H3,(H,9,10)
>  <SMILES>
CC(C(=O)NC(C)(C)C)Br
>  <MOLECULE_URL>

http://akosservice.de/akossamplesservice/php/akossamplesretrieval.php?IDNUMBERS=AKOS000100100
>  <CATALOGUE_INFORMATION>
AKOS000100100 1G (Stock Building Block) 470 EUR
AKOS000100100 2G (Stock Building Block) 740 EUR
AKOS000100100 3G (Stock Building Block) 940 EUR
AKOS000100100 5G (Stock Building Block) 1220 EUR
AKOS000100100 7G (Stock Building Block) 1300 EUR
AKOS000100100 10G (Stock Building Block) 1500 EUR
AKOS000100100 12G (Stock Building Block) 1560 EUR
AKOS000100100 25G (Stock Building Block) 2340 EUR
AKOS000100100  (Stock Screening Sample)
AKOS000100100  (Stock Building Block)
AKOS000100100  (Non Stock Can be Resynthesised)
AKOS000100100  (Non Stock Custom Synthesis) 

$$$$

If you wish to provide a link from an AKOS_NUMBER to our molecule url from your database you can create a view using the SQL below. This will provide the latest sample type data (Building Block, Screening etc.) and price information if available directly from our sample database.

This SQL assumes that your molecule table is called AKOS_MOLTABLE which contains a column name AKOS_NUMBER, you should change these accordingly. The statement was created for and tested on an ORACLE database.

CREATE OR REPLACE FORCE VIEW "AKOS_VIEW" ("AKOS_NUMBER", "MOL_URL") AS
SELECT  AKOS_NUMBER,  'http://akosservice.de/akossamplesservice/php/akossamplesretrieval.php?IDNUMBERS=' || AKOS_NUMBER
FROM AKOS_MOLTABLE
ORDER BY AKOS_NUMBER;
SHOW ERRORS;

InChI:

We added the InChI name(http://www.iupac.org/inchi/) and key (http://www.iupac.org/inchi/release102.html) to the SDFiles. The InChI Name was developed first, but this can be quite long. The InChI code was developed so search engines can index it. This is shorter and also unique.

We also have in the InChI code fairly short unique description of the structure. You can use Accelrys Draw (free-of-charge for academia and private use) to generate structures from InChI names and vice versa.

We were one of the first suppliers using this code. We have acquired the software from Xemistry GmbH. This code is very good and handles complex stereochemistry.  

 

Download by ftp

We recommend that you use a ftp client like FileZilla (http://filezilla-project.org/).

Host = 45629.webhosting12.1blu.de

User = ftp45629-ftp

Password = akosgmbh

Custom Synthesis:  AKos/A1Synth can synthesize larger amounts of compounds for you which are no longer in stock (typically> 10g to 1 kg). 

Also, you can rent a chemists for a month as a full term equivalent to synthesize compounds under a secrecy agreement.

Mesoionic Compounds - SYDNONES AND SYDNONE IMINES in AKos Samples.
Use the program PASS to predict more than 3'000 biological effects. PASS should be one of  your programs used for in silico screening to filter  compounds quickly. PASS calculates also drug likeness. This parameter gives in percentage the probability that this structure is drug like. 

Download PASS demo version

Create your own Isentris Personal database:

Use Isentris Personal Edition to build your own subsets. Building databases with Isentris Personal Edition is easy by importing an SDFile.

Please contact your local Accelrys representative for ordering Isentris Personal Edition. AKos GmbH is your Accelrys representative in Russia (only commercial), Ukraine, Georgia, Turkmenistan, Kazakhstan, Azerbaijan, Uzbekistan, Armenia, Moldova, Latvia, Lithuania, Estonia, Czech Republic, Romania, Bulgaria, Hungary, Slovenia, Slovakia, Croatia, Bosnia-Herzegovina, Serbia, Montenegro, Albania, Macedonia, Belarus, non-exclusive academia in Germany, Austria, and Switzerland.

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