Screening compound: InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3

Screening compound: InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3
Screening compound: InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L105-0109

Molecular Formula

C25H22ClN5O2S (C25 H22 ClN5 O2 S)

Compound Name

2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

IUPAC name

2-({[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3H4H5H-pyrrolo[32-d]pyrimidin-4-one

SMILES

CC(C)N(C1=O)C(SCc2nc(-c(cc3)ccc3Cl)no2)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3

InChI Key

XDWYKTCDBWNYCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232479

InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3
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Delivery formats for InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of InChI=1S/C25H22ClN5O2S/c1-15(2)31-24(32)22-21(19(13-30(22)3)16-7-5-4-6-8-16)28-25(31)34-14-20-27-23(29-33-20)17-9-11-18(26)12-10-17/h4-13,15H,14H2,1-3H3 available by request