D082-0178 Screening compound: 7-methyl-N3-(4-methylphenyl)-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

D082-0178 Screening compound: 7-methyl-N3-(4-methylphenyl)-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
D082-0178 Screening compound: 7-methyl-N3-(4-methylphenyl)-5-oxo-N2-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0178
7-methyl-N3-(4-methylphenyl)-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

D082-0178

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(C(N12)=C(C(Nc3ccccc3)=O)SC2=NC(C)=CC1=O)=O

InChI

InChI=1S/C22H18N4O3S/c1-13-8-10-16(11-9-13)24-20(28)18-19(21(29)25-15-6-4-3-5-7-15)30-22-23-14(2)12-17(27)26(18)22/h3-12H,1-2H3,(H,24,28)(H,25,29)

InChI Key

CPVNCNOMOHEQAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

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

3.238

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.59

Polar Surface Area

72.258

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D082-0178 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Purinergic Library (3321 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D082-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0178?
Check Price and Availability of D082-0178, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D082-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0178
  • 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 D082-0178 available by request