Screening compound: InChI=1S/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2

Screening compound: InChI=1S/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2
Screening compound: InChI=1S/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2

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

L927-0356

Molecular Formula

C22H13F3N4O4S (C22 H13 F3 N4 O4 S)

Compound Name

3-phenyl-1-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-phenyl-1-({3-[4-(trifluoromethoxy)phenyl]-124-oxadiazol-5-yl}methyl)-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

O=C(c(scc1)c1N1Cc2nc(-c(cc3)ccc3OC(F)(F)F)no2)N(c2ccccc2)C1=O

InChI

InChI=1S/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2

InChI Key

WVRNCZIGSDRKNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635840

InChI=1S/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with InChI=1S/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2 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/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2
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/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2
  • 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/C22H13F3N4O4S/c23-22(24,25)32-15-8-6-13(7-9-15)19-26-17(33-27-19)12-28-16-10-11-34-18(16)20(30)29(21(28)31)14-4-2-1-3-5-14/h1-11H,12H2 available by request