A0019410 Screening compound: 3,6-bis(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0019410 Screening compound: 3,6-bis(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0019410 Screening compound: 3,6-bis(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0019410
3,6-bis(2,6-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-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

A0019410

Molecular Formula

C29H25N3O2S3 (C29 H25 N3 O2 S3)

Compound Name

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

IUPAC name

36-bis(26-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

Cc1cccc(C)c1N(C(N=C(N(C1=O)c2c(C)cccc2C)SCC(c2ccccc2)=O)=C1S1)C1=S

InChI

InChI=1S/C29H25N3O2S3/c1-17-10-8-11-18(2)23(17)31-26-25(37-29(31)35)27(34)32(24-19(3)12-9-13-20(24)4)28(30-26)36-16-22(33)21-14-6-5-7-15-21/h5-15H,16H2,1-4H3

InChI Key

JMPIIFZPTQTLAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.502

Distribution Coefficient, logD

6.502

Water Solubility, LogSw

-5.80

Polar Surface Area

38.998

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

A0019410 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with A0019410 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of A0019410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0019410
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for A0019410
  • 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 A0019410 available by request