Screening compound: InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2

Screening compound: InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2
Screening compound: InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2

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

L108-0807

Molecular Formula

C19H13BrN6O3 (C19 H13 BrN6 O3)

Compound Name

5-(4-bromophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

5-(4-bromophenyl)-1-[(3-phenyl-124-oxadiazol-5-yl)methyl]-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(C1N(Cc2nc(-c3ccccc3)no2)N=NC1C1=O)N1c(cc1)ccc1Br

InChI

InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2

InChI Key

BBRJRWQBYQHFDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232667

InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2 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/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
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Delivery formats for InChI=1S/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2
  • 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/C19H13BrN6O3/c20-12-6-8-13(9-7-12)26-18(27)15-16(19(26)28)25(24-22-15)10-14-21-17(23-29-14)11-4-2-1-3-5-11/h1-9,15-16H,10H2 available by request