Screening compound: InChI=1S/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2

Screening compound: InChI=1S/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2
Screening compound: InChI=1S/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2

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

F425-0209

Molecular Formula

C23H16N4O4S2 (C23 H16 N4 O4 S2)

Compound Name

2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-benzyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-({[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}sulfanyl)-3-benzyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

O=C1N(Cc2ccccc2)C(SCc2nc(-c(cc3)cc4c3OCO4)no2)=Nc2c1scc2

InChI

InChI=1S/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2

InChI Key

ONBPJEAGELBJAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996498

InChI=1S/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with InChI=1S/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2 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/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2
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/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2
  • 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/C23H16N4O4S2/c28-22-20-16(8-9-32-20)24-23(27(22)11-14-4-2-1-3-5-14)33-12-19-25-21(26-31-19)15-6-7-17-18(10-15)30-13-29-17/h1-10H,11-13H2 available by request