K286-3644 Screening compound: ethyl 4-(2-{[3-(2-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

K286-3644 Screening compound: ethyl 4-(2-{[3-(2-ethoxyphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
K286-3644 Screening compound: ethyl 4-(2-{[3-(2-ethoxyphenyl)-7-oxo-6-phenyl-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 K286-3644
ethyl 4-(2-{[3-(2-ethoxyphenyl)-7-oxo-6-phenyl-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

K286-3644

Molecular Formula

C30H26N4O5S3 (C30 H26 N4 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSC(N(c1ccccc1)C1=O)=NC(N2c(cccc3)c3OCC)=C1SC2=S)=O)=O

InChI

InChI=1S/C30H26N4O5S3/c1-3-38-23-13-9-8-12-22(23)34-26-25(42-30(34)40)27(36)33(21-10-6-5-7-11-21)29(32-26)41-18-24(35)31-20-16-14-19(15-17-20)28(37)39-4-2/h5-17H,3-4,18H2,1-2H3,(H,31,35)

InChI Key

GRSHUHOGLWYNSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.710

Distribution Coefficient, logD

5.710

Water Solubility, LogSw

-5.54

Polar Surface Area

77.767

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K286-3644 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K286-3644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-3644?
Check Price and Availability of K286-3644, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K286-3644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-3644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-3644
  • 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 K286-3644 available by request