D082-0311 Screening compound: N3-(4-ethoxyphenyl)-N2-(4-methylphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

D082-0311 Screening compound: N3-(4-ethoxyphenyl)-N2-(4-methylphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
D082-0311 Screening compound: N3-(4-ethoxyphenyl)-N2-(4-methylphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0311
N3-(4-ethoxyphenyl)-N2-(4-methylphenyl)-5-oxo-7-propyl-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

D082-0311

Molecular Formula

C26H26N4O4S (C26 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCC(N=C1SC(C(Nc2ccc(C)cc2)=O)=C(C(Nc(cc2)ccc2OCC)=O)N11)=CC1=O

InChI

InChI=1S/C26H26N4O4S/c1-4-6-19-15-21(31)30-22(24(32)27-18-11-13-20(14-12-18)34-5-2)23(35-26(30)29-19)25(33)28-17-9-7-16(3)8-10-17/h7-15H,4-6H2,1-3H3,(H,27,32)(H,28,33)

InChI Key

NCZCEFPWTKLXFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.879

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.40

Polar Surface Area

79.989

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D082-0311 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with D082-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0311?
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What is the minimum amount of D082-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0311
  • 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 D082-0311 available by request