D082-0417 Screening compound: N2-(4-chloro-2-methylphenyl)-N3-(3-chlorophenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

D082-0417 Screening compound: N2-(4-chloro-2-methylphenyl)-N3-(3-chlorophenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
D082-0417 Screening compound: N2-(4-chloro-2-methylphenyl)-N3-(3-chlorophenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0417
N2-(4-chloro-2-methylphenyl)-N3-(3-chlorophenyl)-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

D082-0417

Molecular Formula

C24H20Cl2N4O3S (C24 H20 Cl2 N4 O3 S)

Compound Name

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

IUPAC name

N2-(4-chloro-2-methylphenyl)-N3-(3-chlorophenyl)-5-oxo-7-propyl-5H-[13]thiazolo[32-a]pyrimidine-23-dicarboxamide

SMILES

CCCC(N=C1SC(C(Nc(cc2)c(C)cc2Cl)=O)=C(C(Nc2cc(Cl)ccc2)=O)N11)=CC1=O

InChI

InChI=1S/C24H20Cl2N4O3S/c1-3-5-16-12-19(31)30-20(22(32)27-17-7-4-6-14(25)11-17)21(34-24(30)28-16)23(33)29-18-9-8-15(26)10-13(18)2/h4,6-12H,3,5H2,1-2H3,(H,27,32)(H,29,33)

InChI Key

YRVXMHCLWWZHLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-5.85

Polar Surface Area

72.167

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D082-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0417?
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What is the minimum amount of D082-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0417
  • 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 D082-0417 available by request