D082-0188 Screening compound: N3-(4-chloro-2-methylphenyl)-7-methyl-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

D082-0188 Screening compound: N3-(4-chloro-2-methylphenyl)-7-methyl-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
D082-0188 Screening compound: N3-(4-chloro-2-methylphenyl)-7-methyl-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0188
N3-(4-chloro-2-methylphenyl)-7-methyl-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

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

D082-0188

Molecular Formula

C22H17ClN4O3S (C22 H17 ClN4 O3 S)

Compound Name

N3-(4-chloro-2-methylphenyl)-7-methyl-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

IUPAC name

N3-(4-chloro-2-methylphenyl)-7-methyl-5-oxo-N2-phenyl-5H-[13]thiazolo[32-a]pyrimidine-23-dicarboxamide

SMILES

Cc(cc(cc1)Cl)c1NC(C(N12)=C(C(Nc3ccccc3)=O)SC2=NC(C)=CC1=O)=O

InChI

InChI=1S/C22H17ClN4O3S/c1-12-10-14(23)8-9-16(12)26-20(29)18-19(21(30)25-15-6-4-3-5-7-15)31-22-24-13(2)11-17(28)27(18)22/h3-11H,1-2H3,(H,25,30)(H,26,29)

InChI Key

ZNOAAEOWZODXDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06642501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-4.39

Polar Surface Area

71.560

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D082-0188 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D082-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0188?
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What is the minimum amount of D082-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0188
  • 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 D082-0188 available by request