A0018467 Screening compound: ethyl 2-({7-oxo-3,6-diphenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate

A0018467 Screening compound: ethyl 2-({7-oxo-3,6-diphenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
A0018467 Screening compound: ethyl 2-({7-oxo-3,6-diphenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018467
ethyl 2-({7-oxo-3,6-diphenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate

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

A0018467

Molecular Formula

C21H17N3O3S3 (C21 H17 N3 O3 S3)

Compound Name

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

IUPAC name

ethyl 2-({7-oxo-36-diphenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl}sulfanyl)acetate

SMILES

CCOC(CSC(N(c1ccccc1)C1=O)=NC(N2c3ccccc3)=C1SC2=S)=O

InChI

InChI=1S/C21H17N3O3S3/c1-2-27-16(25)13-29-20-22-18-17(19(26)24(20)15-11-7-4-8-12-15)30-21(28)23(18)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3

InChI Key

IQWFWFHIKRONFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-3.90

Polar Surface Area

47.385

Acid Dissociation Constant (pKa)

29.82

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

A0018467 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 A0018467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018467?
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What is the minimum amount of A0018467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018467
  • 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 A0018467 available by request