Screening compound: InChI=1S/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3

Screening compound: InChI=1S/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3
Screening compound: InChI=1S/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3

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

F401-0347

Molecular Formula

C22H17ClN4O2S2 (C22 H17 ClN4 O2 S2)

Compound Name

1-[(3-chlorobenzyl)sulfanyl]-4-(2-methoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-{[(3-chlorophenyl)methyl]sulfanyl}-8-[(2-methoxyphenyl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

COc1c(CN(c(n2-c3c4scc3)nnc2SCc2cccc(Cl)c2)C4=O)cccc1

InChI

InChI=1S/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3

InChI Key

SZRHTQMZRKCJCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124234

InChI=1S/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with InChI=1S/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3 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/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3
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/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3
  • 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/C22H17ClN4O2S2/c1-29-18-8-3-2-6-15(18)12-26-20(28)19-17(9-10-30-19)27-21(26)24-25-22(27)31-13-14-5-4-7-16(23)11-14/h2-11H,12-13H2,1H3 available by request