D082-0406 Screening compound: N2-(4-chloro-2-methylphenyl)-N3-(2,3-dimethylphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

D082-0406 Screening compound: N2-(4-chloro-2-methylphenyl)-N3-(2,3-dimethylphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
D082-0406 Screening compound: N2-(4-chloro-2-methylphenyl)-N3-(2,3-dimethylphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0406
N2-(4-chloro-2-methylphenyl)-N3-(2,3-dimethylphenyl)-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

D082-0406

Molecular Formula

C26H25ClN4O3S (C26 H25 ClN4 O3 S)

Compound Name

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

IUPAC name

N2-(4-chloro-2-methylphenyl)-N3-(23-dimethylphenyl)-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(Nc2c(C)c(C)ccc2)=O)N11)=CC1=O

InChI

InChI=1S/C26H25ClN4O3S/c1-5-7-18-13-21(32)31-22(24(33)30-20-9-6-8-14(2)16(20)4)23(35-26(31)28-18)25(34)29-19-11-10-17(27)12-15(19)3/h6,8-13H,5,7H2,1-4H3,(H,29,34)(H,30,33)

InChI Key

XAYMWLZILXQAAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.03

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

5.974

Distribution Coefficient, logD

5.736

Water Solubility, LogSw

-6.02

Polar Surface Area

71.469

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with D082-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0406?
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What is the minimum amount of D082-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0406
  • 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 D082-0406 available by request