A0018940 Screening compound: 2-{[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile

A0018940 Screening compound: 2-{[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
A0018940 Screening compound: 2-{[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018940
2-{[6-(4-bromophenyl)-3-(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile

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

A0018940

Molecular Formula

C21H15BrN4OS3 (C21 H15 BrN4 OS3)

Compound Name

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

IUPAC name

2-{[6-(4-bromophenyl)-3-(26-dimethylphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetonitrile

SMILES

Cc1cccc(C)c1N(C(N=C(N(c(cc1)ccc1Br)C1=O)SCC#N)=C1S1)C1=S

InChI

InChI=1S/C21H15BrN4OS3/c1-12-4-3-5-13(2)16(12)26-18-17(30-21(26)28)19(27)25(20(24-18)29-11-10-23)15-8-6-14(22)7-9-15/h3-9H,11H2,1-2H3

InChI Key

MSXFUCWEOIOYCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.116

Water Solubility, LogSw

-4.98

Polar Surface Area

44.116

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

A0018940 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 A0018940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018940?
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What is the minimum amount of A0018940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018940
  • 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 A0018940 available by request