K286-3696 Screening compound: N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

K286-3696 Screening compound: N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
K286-3696 Screening compound: N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3696
N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

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

K286-3696

Molecular Formula

C28H23ClN4O2S3 (C28 H23 ClN4 O2 S3)

Compound Name

N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1N(C1=O)C(SCC(NCc2ccccc2)=O)=NC(N2c(cc3)cc(C)c3Cl)=C1SC2=S

InChI

InChI=1S/C28H23ClN4O2S3/c1-17-8-10-20(11-9-17)33-26(35)24-25(32(28(36)38-24)21-12-13-22(29)18(2)14-21)31-27(33)37-16-23(34)30-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,30,34)

InChI Key

ALRIHJPKUAVLIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.17

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.388

Distribution Coefficient, logD

6.388

Water Solubility, LogSw

-6.12

Polar Surface Area

51.426

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K286-3696 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 K286-3696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3696?
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What is the minimum amount of K286-3696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3696
  • 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 K286-3696 available by request