Y020-6972 Screening compound: 4-{6-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

Y020-6972 Screening compound: 4-{6-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide
Y020-6972 Screening compound: 4-{6-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6972
4-{6-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

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

Y020-6972

Molecular Formula

C23H22N4O3S4 (C23 H22 N4 O3 S4)

Compound Name

4-{6-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

IUPAC name

4-{6-ethoxy-44-dimethyl-1-sulfanylidene-1H2H4H5H-[12]thiazolo[54-c]quinolin-2-yl}-N-(13-thiazol-2-yl)benzene-1-sulfonamide

SMILES

CCOc1cccc2c1NC(C)(C)C(SN1c(cc3)ccc3S(Nc3nccs3)(=O)=O)=C2C1=S

InChI

InChI=1S/C23H22N4O3S4/c1-4-30-17-7-5-6-16-18-20(23(2,3)25-19(16)17)33-27(21(18)31)14-8-10-15(11-9-14)34(28,29)26-22-24-12-13-32-22/h5-13,25H,4H2,1-3H3,(H,24,26)

InChI Key

RQPOXAJXVPLBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04221704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.46

Polar Surface Area

70.792

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

Y020-6972 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-6972 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 Y020-6972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6972
  • 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 Y020-6972 available by request