K286-4172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

K286-4172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
K286-4172 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-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 K286-4172
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-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

K286-4172

Molecular Formula

C29H30N4O2S3 (C29 H30 N4 O2 S3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[3-(34-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamide

SMILES

Cc(cc1)c(C)cc1N(C(N=C(N(c1ccccc1)C1=O)SCC(NCCC2=CCCCC2)=O)=C1S1)C1=S

InChI

InChI=1S/C29H30N4O2S3/c1-19-13-14-23(17-20(19)2)32-26-25(38-29(32)36)27(35)33(22-11-7-4-8-12-22)28(31-26)37-18-24(34)30-16-15-21-9-5-3-6-10-21/h4,7-9,11-14,17H,3,5-6,10,15-16,18H2,1-2H3,(H,30,34)

InChI Key

ZQXPUTBMOKNFBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

5.745

Water Solubility, LogSw

-5.26

Polar Surface Area

51.460

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

K286-4172 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 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

References: we are preparing a list of scientific research reports with K286-4172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-4172?
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What is the minimum amount of K286-4172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-4172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-4172
  • 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 K286-4172 available by request