Screening compound: InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2

Screening compound: InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2
Screening compound: InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2

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

K286-4328

Molecular Formula

C26H17N3O5S3 (C26 H17 N3 O5 S3)

Compound Name

3-[(furan-2-yl)methyl]-5-{[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-[(furan-2-yl)methyl]-5-{[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-6-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

Oc(cc1)cc(O2)c1C(CSC(N(c1ccccc1)C1=O)=NC(N3Cc4ccco4)=C1SC3=S)=CC2=O

InChI

InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2

InChI Key

KZZQOQBZWBRCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091119

InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2 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/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2
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Delivery formats for InChI=1S/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2
  • 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/C26H17N3O5S3/c30-17-8-9-19-15(11-21(31)34-20(19)12-17)14-36-25-27-23-22(24(32)29(25)16-5-2-1-3-6-16)37-26(35)28(23)13-18-7-4-10-33-18/h1-12,30H,13-14H2 available by request