A0018514 Screening compound: 5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018514 Screening compound: 5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018514 Screening compound: 5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018514
5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

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

A0018514

Molecular Formula

C27H21N3O2S3 (C27 H21 N3 O2 S3)

Compound Name

5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

5-[(2-oxo-2-phenylethyl)sulfanyl]-6-phenyl-3-(2-phenylethyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

O=C(CSC(N(c1ccccc1)C1=O)=NC(N2CCc3ccccc3)=C1SC2=S)c1ccccc1

InChI

InChI=1S/C27H21N3O2S3/c31-22(20-12-6-2-7-13-20)18-34-26-28-24-23(25(32)30(26)21-14-8-3-9-15-21)35-27(33)29(24)17-16-19-10-4-1-5-11-19/h1-15H,16-18H2

InChI Key

UWOHERRZXDTQGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.68

Polar Surface Area

40.791

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

A0018514 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 A0018514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018514?
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What is the minimum amount of A0018514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018514
  • 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 A0018514 available by request