A0019063 Screening compound: ethyl 2-{[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate

A0019063 Screening compound: ethyl 2-{[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
A0019063 Screening compound: ethyl 2-{[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0019063
ethyl 2-{[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate

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

A0019063

Molecular Formula

C22H18ClN3O3S3 (C22 H18 ClN3 O3 S3)

Compound Name

ethyl 2-{[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[3-benzyl-6-(3-chlorophenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N(c1cccc(Cl)c1)C1=O)=NC(N2Cc3ccccc3)=C1SC2=S)=O

InChI

InChI=1S/C22H18ClN3O3S3/c1-2-29-17(27)13-31-21-24-19-18(20(28)26(21)16-10-6-9-15(23)11-16)32-22(30)25(19)12-14-7-4-3-5-8-14/h3-11H,2,12-13H2,1H3

InChI Key

MIBCKFPMDLJTND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.50

Polar Surface Area

47.996

Acid Dissociation Constant (pKa)

29.82

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

A0019063 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with A0019063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0019063?
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What is the minimum amount of A0019063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0019063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0019063
  • 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 A0019063 available by request