Screening compound: InChI=1S/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2

Screening compound: InChI=1S/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2
Screening compound: InChI=1S/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2

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

S636-3263

Molecular Formula

C18H24N4OS (C18 H24 N4 OS)

Compound Name

2-benzyl-7-(thian-4-yl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

IUPAC name

2-benzyl-7-(thian-4-yl)-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-one

SMILES

O=C1N(CCN(CC2)C3CCSCC3)C2=NN1Cc1ccccc1

InChI

InChI=1S/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2

InChI Key

YBNWRMCUMAFMFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225249

InChI=1S/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with InChI=1S/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2 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/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2
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/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2
  • 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/C18H24N4OS/c23-18-21-11-10-20(16-7-12-24-13-8-16)9-6-17(21)19-22(18)14-15-4-2-1-3-5-15/h1-5,16H,6-14H2 available by request