A0018964 Screening compound: ethyl 2-{[6-(4-bromophenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate

A0018964 Screening compound: ethyl 2-{[6-(4-bromophenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
A0018964 Screening compound: ethyl 2-{[6-(4-bromophenyl)-7-oxo-3-(2-phenylethyl)-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 A0018964
ethyl 2-{[6-(4-bromophenyl)-7-oxo-3-(2-phenylethyl)-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

A0018964

Molecular Formula

C23H20BrN3O3S3 (C23 H20 BrN3 O3 S3)

Compound Name

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

IUPAC name

ethyl 2-{[6-(4-bromophenyl)-7-oxo-3-(2-phenylethyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N(c(cc1)ccc1Br)C1=O)=NC(N2CCc3ccccc3)=C1SC2=S)=O

InChI

InChI=1S/C23H20BrN3O3S3/c1-2-30-18(28)14-32-22-25-20-19(21(29)27(22)17-10-8-16(24)9-11-17)33-23(31)26(20)13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3

InChI Key

UFUDXIRQBFPBAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.527

Distribution Coefficient, logD

5.527

Water Solubility, LogSw

-5.32

Polar Surface Area

47.975

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

A0018964 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with A0018964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018964?
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What is the minimum amount of A0018964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018964
  • 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 A0018964 available by request