K286-2647 Screening compound: 2-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile

K286-2647 Screening compound: 2-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile
K286-2647 Screening compound: 2-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-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 K286-2647
2-{[3-(2,4-dimethylphenyl)-6-(4-fluorophenyl)-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

K286-2647

Molecular Formula

C21H15FN4OS3 (C21 H15 FN4 OS3)

Compound Name

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

IUPAC name

2-{[3-(24-dimethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetonitrile

SMILES

Cc(cc1)cc(C)c1N(C(N=C(N(c(cc1)ccc1F)C1=O)SCC#N)=C1S1)C1=S

InChI

InChI=1S/C21H15FN4OS3/c1-12-3-8-16(13(2)11-12)26-18-17(30-21(26)28)19(27)25(20(24-18)29-10-9-23)15-6-4-14(22)5-7-15/h3-8,11H,10H2,1-2H3

InChI Key

YJCVGPQCHVWEAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

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

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.50

Polar Surface Area

44.417

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K286-2647 in Drug Discovery

Included in Screening Libraries

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

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 K286-2647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-2647?
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What is the minimum amount of K286-2647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-2647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-2647
  • 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 K286-2647 available by request