K286-0222 Screening compound: ethyl 4-{5-[(cyanomethyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate

K286-0222 Screening compound: ethyl 4-{5-[(cyanomethyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate
K286-0222 Screening compound: ethyl 4-{5-[(cyanomethyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-0222
ethyl 4-{5-[(cyanomethyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate

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

K286-0222

Molecular Formula

C22H16N4O3S3 (C22 H16 N4 O3 S3)

Compound Name

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

IUPAC name

ethyl 4-{5-[(cyanomethyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-3-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(N=C(N(c1ccccc1)C1=O)SCC#N)=C1S1)C1=S)=O

InChI

InChI=1S/C22H16N4O3S3/c1-2-29-20(28)14-8-10-16(11-9-14)25-18-17(32-22(25)30)19(27)26(15-6-4-3-5-7-15)21(24-18)31-13-12-23/h3-11H,2,13H2,1H3

InChI Key

USSYRUIZWFPXTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.03

Polar Surface Area

65.472

Acid Dissociation Constant (pKa)

29.93

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K286-0222 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 K286-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0222?
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What is the minimum amount of K286-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0222
  • 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 K286-0222 available by request