K286-0311 Screening compound: 6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

K286-0311 Screening compound: 6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
K286-0311 Screening compound: 6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-0311
6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3-phenyl-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

K286-0311

Molecular Formula

C30H21N3O6S3 (C30 H21 N3 O6 S3)

Compound Name

6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-(34-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

COc(ccc(N(C1=O)C(SCC(C2=Cc(cccc3)c3OC2=O)=O)=NC(N2c3ccccc3)=C1SC2=S)c1)c1OC

InChI

InChI=1S/C30H21N3O6S3/c1-37-23-13-12-19(15-24(23)38-2)33-27(35)25-26(32(30(40)42-25)18-9-4-3-5-10-18)31-29(33)41-16-21(34)20-14-17-8-6-7-11-22(17)39-28(20)36/h3-15H,16H2,1-2H3

InChI Key

APQBLEJUFJZYAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.71

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.55

Polar Surface Area

76.384

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K286-0311 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K286-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0311?
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What is the minimum amount of K286-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0311
  • 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 K286-0311 available by request