Screening compound: InChI=1S/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H

Screening compound: InChI=1S/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H
Screening compound: InChI=1S/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H

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

L109-0338

Molecular Formula

C16H10ClFN4O2 (C16 H10 ClFN4 O2)

Compound Name

1-(3-chlorophenyl)-5-(4-fluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

1-(3-chlorophenyl)-5-(4-fluorophenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(C1N(c2cccc(Cl)c2)N=NC1C1=O)N1c(cc1)ccc1F

InChI

InChI=1S/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H

InChI Key

IBGHXRBIUHSOAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118736

InChI=1S/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with InChI=1S/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H 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/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H
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/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H
  • 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/C16H10ClFN4O2/c17-9-2-1-3-12(8-9)22-14-13(19-20-22)15(23)21(16(14)24)11-6-4-10(18)5-7-11/h1-8,13-14H available by request