K286-3699 Screening compound: 2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid

K286-3699 Screening compound: 2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid
K286-3699 Screening compound: 2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3699
2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid

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

K286-3699

Molecular Formula

C21H16ClN3O3S3 (C21 H16 ClN3 O3 S3)

Compound Name

2-{[3-(4-chloro-3-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H16ClN3O3S3/c1-11-3-5-13(6-4-11)25-19(28)17-18(23-20(25)30-10-16(26)27)24(21(29)31-17)14-7-8-15(22)12(2)9-14/h3-9H,10H2,1-2H3,(H,26,27)

InChI Key

DOQNNJGBBGOEGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.796

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-4.50

Polar Surface Area

55.610

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

-9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

K286-3699 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K286-3699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3699?
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What is the minimum amount of K286-3699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3699
  • 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 K286-3699 available by request