D082-0272 Screening compound: N2-(2,3-dimethylphenyl)-N3-(2-methoxy-5-methylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

D082-0272 Screening compound: N2-(2,3-dimethylphenyl)-N3-(2-methoxy-5-methylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
D082-0272 Screening compound: N2-(2,3-dimethylphenyl)-N3-(2-methoxy-5-methylphenyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0272
N2-(2,3-dimethylphenyl)-N3-(2-methoxy-5-methylphenyl)-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

D082-0272

Molecular Formula

C25H24N4O4S (C25 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(NC(C(N23)=C(C(Nc4c(C)c(C)ccc4)=O)SC3=NC(C)=CC2=O)=O)c1OC

InChI

InChI=1S/C25H24N4O4S/c1-13-9-10-19(33-5)18(11-13)28-23(31)21-22(34-25-26-15(3)12-20(30)29(21)25)24(32)27-17-8-6-7-14(2)16(17)4/h6-12H,1-5H3,(H,27,32)(H,28,31)

InChI Key

MEXFAUOKJBRUPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06639600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.870

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-4.00

Polar Surface Area

78.493

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D082-0272 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 D082-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0272?
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What is the minimum amount of D082-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0272
  • 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 D082-0272 available by request