8015-2202 Screening compound: 4-{8-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide

8015-2202 Screening compound: 4-{8-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide
8015-2202 Screening compound: 4-{8-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2202
4-{8-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(4-methylpyrimidin-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

8015-2202

Molecular Formula

C25H25N5O3S3 (C25 H25 N5 O3 S3)

Compound Name

4-{8-ethoxy-4,4-dimethyl-1-sulfanylidene-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinolin-2-yl}-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide

IUPAC name

4-{8-ethoxy-44-dimethyl-1-sulfanylidene-1H2H4H5H-[12]thiazolo[54-c]quinolin-2-yl}-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide

SMILES

CCOc(cc1)cc2c1NC(C)(C)C(SN1c(cc3)ccc3S(Nc3nc(C)ccn3)(=O)=O)=C2C1=S

InChI

InChI=1S/C25H25N5O3S3/c1-5-33-17-8-11-20-19(14-17)21-22(25(3,4)28-20)35-30(23(21)34)16-6-9-18(10-7-16)36(31,32)29-24-26-13-12-15(2)27-24/h6-14,28H,5H2,1-4H3,(H,26,27,29)

InChI Key

XSFOPQYLRQVKRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.63

Polar Surface Area

82.423

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8015-2202 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8015-2202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2202?
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What is the minimum amount of 8015-2202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2202
  • 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 8015-2202 available by request