Screening compound: InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2

Screening compound: InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2
Screening compound: InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2

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

S636-1648

Molecular Formula

C15H17ClN4O2S (C15 H17 ClN4 O2 S)

Compound Name

7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

IUPAC name

7-(5-chlorothiophene-2-carbonyl)-2-(cyclopropylmethyl)-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-one

SMILES

O=C(c(s1)ccc1Cl)N(CCC1=NN2CC3CC3)CCN1C2=O

InChI

InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2

InChI Key

KBCXZBMBSZUONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29013533

InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2 chemical compound. It will be published here after verification.

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2
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/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2
  • 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/C15H17ClN4O2S/c16-12-4-3-11(23-12)14(21)18-6-5-13-17-20(9-10-1-2-10)15(22)19(13)8-7-18/h3-4,10H,1-2,5-9H2 available by request