Screening compound: InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2

Screening compound: InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2
Screening compound: InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2

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

L918-2011

Molecular Formula

C20H17FN4O3S (C20 H17 FN4 O3 S)

Compound Name

4-({4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}sulfonyl)benzonitrile

IUPAC name

4-({4-[5-(4-fluorophenyl)-124-oxadiazol-3-yl]piperidin-1-yl}sulfonyl)benzonitrile

SMILES

N#Cc(cc1)ccc1S(N(CC1)CCC1c1noc(-c(cc2)ccc2F)n1)(=O)=O

InChI

InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2

InChI Key

BBPMGONMPHBSEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137230

InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2 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/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2
  • 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/C20H17FN4O3S/c21-17-5-3-16(4-6-17)20-23-19(24-28-20)15-9-11-25(12-10-15)29(26,27)18-7-1-14(13-22)2-8-18/h1-8,15H,9-12H2 available by request