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AKosSamples  Delivering screening compounds and building blocks

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Several of our suppliers offer larger collections for a very attractive price, i.e.  less than 5 Euro a sample.
select samples
  • by biological effects
  • by scaffolds
  • by SSS
  • by Similarity

Send us your query and we do the work for you!

Type File Size
SDFile AK_final with Lipinsky (PASS12)_sdf.7z 8,0 Mb
Excel file with SMILES AK_72 PASS effects and Lipinsky_xls with smiles.xls 16,5 Mb
Excel file with structures. You need ISIS for Excel to work with this file. AK_72 PASS effects and Lipinsky_xls for ISISforExcel only.xls 35,5 Mb
ISIS/Base database AK_11809 cmps with Lipinsky and PASS ISISBase db.7z 7,9 Mb
Instant JChem database (Murcko scaffold are included) 2k screening cmpds Instant JChem db.7z 25,3 Mb
SDFile of extracted Murcko Scaffolds AK_deduplicated Murcko_sdf.7z 0,5 Mb
ISIS/Base database of the Murcko scaffolds AK_Deduplicated Murcko ISISBase db.7z 0,5 Mb

Another suppliers offers these 16910 compounds: ON STOCK - immediate delivery, Purity > 90% with NMR-results)

  • Available weigh mg (MG) indicated in the field "AVAILABLE" in SDF-file,some compounds are Available in grams weight - in this case I indicated (G).

  • Special discounted prices for orders >8 compounds, very low price for orders >50 compounds.

  • Delivery during 1-2 days and prices will be with discount depending from the number of ordered compounds

SDFile with PASS, Lipinsky and ca. 20 more calculated values

SDFile with 16910 cmps 16910_special_offer.7z  13,6 MB

SDFile with with special prices  for orders starting from 10 compounds.
for example we sold 350 compounds each 5mg for 6.50 EUR per one compound (including new NMRs)

SDFile with 15080 cmps Special_Offer_070914.zip  4,2 MB

You can download the files either by clicking on the link, or using the ftp download, see below.

Use the program PASS to predict more than 4'000 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 or try it in iScienceSearch

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