Screening compound: InChI=1S/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3

Screening compound: InChI=1S/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3
Screening compound: InChI=1S/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3

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

8640-0178

Molecular Formula

C18H17ClN2O3S (C18 H17 ClN2 O3 S)

Compound Name

3-(4-chlorophenyl)-1,6,6-trimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

4-(4-chlorophenyl)-61212-trimethyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-35-dione

SMILES

CC(C)(C1)OCc2c1c(C(N(c(cc1)ccc1Cl)C(N1C)=O)=O)c1s2

InChI

InChI=1S/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3

InChI Key

REGIWJNEYKLMAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03682562

InChI=1S/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with InChI=1S/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3 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/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3
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/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3
  • 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/C18H17ClN2O3S/c1-18(2)8-12-13(9-24-18)25-16-14(12)15(22)21(17(23)20(16)3)11-6-4-10(19)5-7-11/h4-7H,8-9H2,1-3H3 available by request