K286-3646 Screening compound: 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-3646 Screening compound: 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-3646 Screening compound: 5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3646
5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-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

K286-3646

Molecular Formula

C30H24ClN3OS4 (C30 H24 ClN3 OS4)

Compound Name

5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

5-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-6-(26-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

Cc1cccc(C)c1N(C1=O)C(SCc2csc(cc3)c2cc3Cl)=NC(N2CCc3ccccc3)=C1SC2=S

InChI

InChI=1S/C30H24ClN3OS4/c1-18-7-6-8-19(2)25(18)34-28(35)26-27(33(30(36)39-26)14-13-20-9-4-3-5-10-20)32-29(34)38-17-21-16-37-24-12-11-22(31)15-23(21)24/h3-12,15-16H,13-14,17H2,1-2H3

InChI Key

RISYZRNGZUCUMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.591

Distribution Coefficient, logD

8.591

Water Solubility, LogSw

-6.26

Polar Surface Area

27.689

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K286-3646 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 K286-3646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3646?
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What is the minimum amount of K286-3646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3646
  • 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 K286-3646 available by request