K286-3961 Screening compound: benzyl 2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate

K286-3961 Screening compound: benzyl 2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
K286-3961 Screening compound: benzyl 2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-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 K286-3961
benzyl 2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-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

K286-3961

Molecular Formula

C29H25N3O4S3 (C29 H25 N3 O4 S3)

Compound Name

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

IUPAC name

benzyl 2-{[3-(34-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetate

SMILES

Cc(cc1)c(C)cc1N(C(N=C(N(c(cccc1)c1OC)C1=O)SCC(OCc2ccccc2)=O)=C1S1)C1=S

InChI

InChI=1S/C29H25N3O4S3/c1-18-13-14-21(15-19(18)2)31-26-25(39-29(31)37)27(34)32(22-11-7-8-12-23(22)35-3)28(30-26)38-17-24(33)36-16-20-9-5-4-6-10-20/h4-15H,16-17H2,1-3H3

InChI Key

GZOZCJKXXRSCSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.73

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

6.380

Water Solubility, LogSw

-5.45

Polar Surface Area

54.818

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

K286-3961 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 K286-3961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3961?
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What is the minimum amount of K286-3961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3961
  • 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 K286-3961 available by request