D314-0328 Screening compound: N-butyl-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide

D314-0328 Screening compound: N-butyl-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide
D314-0328 Screening compound: N-butyl-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0328
N-butyl-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-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

D314-0328

Molecular Formula

C21H25ClN4OS (C21 H25 ClN4 OS)

Compound Name

N-butyl-2-{4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxamide

IUPAC name

N-butyl-2-{4-[(2-chlorophenyl)methyl]-35-dimethyl-1H-pyrazol-1-yl}-4-methyl-13-thiazole-5-carboxamide

SMILES

CCCCNC(c1c(C)nc(-n2nc(C)c(Cc(cccc3)c3Cl)c2C)s1)=O

InChI

InChI=1S/C21H25ClN4OS/c1-5-6-11-23-20(27)19-14(3)24-21(28-19)26-15(4)17(13(2)25-26)12-16-9-7-8-10-18(16)22/h7-10H,5-6,11-12H2,1-4H3,(H,23,27)

InChI Key

WFVOOKVDHAHWLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-5.68

Polar Surface Area

49.309

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D314-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0328?
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What is the minimum amount of D314-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0328
  • 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 D314-0328 available by request