A0019100 Screening compound: 6-(3-chlorophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0019100 Screening compound: 6-(3-chlorophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0019100 Screening compound: 6-(3-chlorophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0019100
6-(3-chlorophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-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

A0019100

Molecular Formula

C26H19Cl2N3OS3 (C26 H19 Cl2 N3 OS3)

Compound Name

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

IUPAC name

6-(3-chlorophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(26-dimethylphenyl)-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

Cc1cccc(C)c1N(C(N=C(N(c1cccc(Cl)c1)C1=O)SCc(cc2)ccc2Cl)=C1S1)C1=S

InChI

InChI=1S/C26H19Cl2N3OS3/c1-15-5-3-6-16(2)21(15)31-23-22(35-26(31)33)24(32)30(20-8-4-7-19(28)13-20)25(29-23)34-14-17-9-11-18(27)12-10-17/h3-13H,14H2,1-2H3

InChI Key

KGFLGXRPLCPTJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.253

Distribution Coefficient, logD

7.253

Water Solubility, LogSw

-6.33

Polar Surface Area

26.353

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

A0019100 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 A0019100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0019100?
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What is the minimum amount of A0019100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0019100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0019100
  • 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 A0019100 available by request