K286-3689 Screening compound: ethyl 4-(2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

K286-3689 Screening compound: ethyl 4-(2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
K286-3689 Screening compound: ethyl 4-(2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-3689
ethyl 4-(2-{[3-(4-ethylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)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

K286-3689

Molecular Formula

C30H25FN4O4S3 (C30 H25 FN4 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(N=C(N(c(cc1)ccc1F)C1=O)SCC(Nc(cc2)ccc2C(OCC)=O)=O)=C1S1)C1=S

InChI

InChI=1S/C30H25FN4O4S3/c1-3-18-5-13-22(14-6-18)34-26-25(42-30(34)40)27(37)35(23-15-9-20(31)10-16-23)29(33-26)41-17-24(36)32-21-11-7-19(8-12-21)28(38)39-4-2/h5-16H,3-4,17H2,1-2H3,(H,32,36)

InChI Key

DBYZIYKMGKRJPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.75

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.469

Distribution Coefficient, logD

6.469

Water Solubility, LogSw

-5.71

Polar Surface Area

70.858

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

-9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K286-3689 in Drug Discovery

Included in Screening Libraries

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 K286-3689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3689?
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What is the minimum amount of K286-3689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3689
  • 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 K286-3689 available by request