K286-4059 Screening compound: 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-4059 Screening compound: 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-4059 Screening compound: 5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-4059
5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

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

K286-4059

Molecular Formula

C29H24ClN3O3S3 (C29 H24 ClN3 O3 S3)

Compound Name

5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(4-ethylphenyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CCc(cc1)ccc1N(C(N=C(N(c(cc1)ccc1OCC)C1=O)SCC(c(cc2)ccc2Cl)=O)=C1S1)C1=S

InChI

InChI=1S/C29H24ClN3O3S3/c1-3-18-5-11-21(12-6-18)32-26-25(39-29(32)37)27(35)33(22-13-15-23(16-14-22)36-4-2)28(31-26)38-17-24(34)19-7-9-20(30)10-8-19/h5-16H,3-4,17H2,1-2H3

InChI Key

NXBPQDOQKLYTJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.18

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

6.929

Distribution Coefficient, logD

6.929

Water Solubility, LogSw

-6.44

Polar Surface Area

47.325

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

K286-4059 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 K286-4059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-4059?
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What is the minimum amount of K286-4059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-4059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-4059
  • 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 K286-4059 available by request