D314-0180 Screening compound: 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

D314-0180 Screening compound: 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
D314-0180 Screening compound: 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0180
2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

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

D314-0180

Molecular Formula

C22H28N4OS (C22 H28 N4 OS)

Compound Name

2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

2-(4-butyl-35-dimethyl-1H-pyrazol-1-yl)-N-(34-dimethylphenyl)-4-methyl-13-thiazole-5-carboxamide

SMILES

CCCCc1c(C)n(-c2nc(C)c(C(Nc3cc(C)c(C)cc3)=O)s2)nc1C

InChI

InChI=1S/C22H28N4OS/c1-7-8-9-19-15(4)25-26(17(19)6)22-23-16(5)20(28-22)21(27)24-18-11-10-13(2)14(3)12-18/h10-12H,7-9H2,1-6H3,(H,24,27)

InChI Key

QTBXDOURLWVQHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.962

Distribution Coefficient, logD

5.962

Water Solubility, LogSw

-5.27

Polar Surface Area

48.145

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with D314-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0180?
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What is the minimum amount of D314-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0180
  • 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 D314-0180 available by request