A0018505 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0018505 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0018505 Screening compound: 5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0018505
5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-6-phenyl-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

A0018505

Molecular Formula

C25H18ClN3O2S3 (C25 H18 ClN3 O2 S3)

Compound Name

5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-6-phenyl-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-6-phenyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

COc(cccc1)c1N(C(N=C(N(c1ccccc1)C1=O)SCc(cc2)ccc2Cl)=C1S1)C1=S

InChI

InChI=1S/C25H18ClN3O2S3/c1-31-20-10-6-5-9-19(20)29-22-21(34-25(29)32)23(30)28(18-7-3-2-4-8-18)24(27-22)33-15-16-11-13-17(26)14-12-16/h2-14H,15H2,1H3

InChI Key

BRWJKVDYFBHAHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.565

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.88

Polar Surface Area

34.284

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

A0018505 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 A0018505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0018505?
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What is the minimum amount of A0018505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0018505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0018505
  • 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 A0018505 available by request