Screening compound: InChI=1S/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2

Screening compound: InChI=1S/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2
Screening compound: InChI=1S/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2

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

L108-0685

Molecular Formula

C20H12F2N6O5 (C20 H12 F2 N6 O5)

Compound Name

1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-difluorophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

1-{[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}-5-(34-difluorophenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

O=C(C1N(Cc2nc(-c(cc3)cc4c3OCO4)no2)N=NC1C1=O)N1c(cc1)cc(F)c1F

InChI

InChI=1S/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2

InChI Key

TXRJTARENTWTHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638580

InChI=1S/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with InChI=1S/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2 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/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2
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/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2
  • 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/C20H12F2N6O5/c21-11-3-2-10(6-12(11)22)28-19(29)16-17(20(28)30)27(26-24-16)7-15-23-18(25-33-15)9-1-4-13-14(5-9)32-8-31-13/h1-6,16-17H,7-8H2 available by request