D082-0273 Screening compound: N3-(3-chloro-4-fluorophenyl)-N2-(2,3-dimethylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

D082-0273 Screening compound: N3-(3-chloro-4-fluorophenyl)-N2-(2,3-dimethylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
D082-0273 Screening compound: N3-(3-chloro-4-fluorophenyl)-N2-(2,3-dimethylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0273
N3-(3-chloro-4-fluorophenyl)-N2-(2,3-dimethylphenyl)-7-methyl-5-oxo-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

D082-0273

Molecular Formula

C23H18ClFN4O3S (C23 H18 ClFN4 O3 S)

Compound Name

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

IUPAC name

N3-(3-chloro-4-fluorophenyl)-N2-(23-dimethylphenyl)-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-23-dicarboxamide

SMILES

Cc1cccc(NC(C(SC2=NC(C)=C3)=C(C(Nc(cc4)cc(Cl)c4F)=O)N2C3=O)=O)c1C

InChI

InChI=1S/C23H18ClFN4O3S/c1-11-5-4-6-17(13(11)3)28-22(32)20-19(29-18(30)9-12(2)26-23(29)33-20)21(31)27-14-7-8-16(25)15(24)10-14/h4-10H,1-3H3,(H,27,31)(H,28,32)

InChI Key

YGZFADQHRGXHDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06639602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.94

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

4.565

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-4.61

Polar Surface Area

71.560

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D082-0273 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D082-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0273?
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What is the minimum amount of D082-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0273
  • 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 D082-0273 available by request