D314-0151 Screening compound: ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate

D314-0151 Screening compound: ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
D314-0151 Screening compound: ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0151
ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate

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

D314-0151

Molecular Formula

C21H31N5O3S (C21 H31 N5 O3 S)

Compound Name

ethyl 4-[2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(4-butyl-35-dimethyl-1H-pyrazol-1-yl)-4-methyl-13-thiazole-5-carbonyl]piperazine-1-carboxylate

SMILES

CCCCc1c(C)n(-c2nc(C)c(C(N(CC3)CCN3C(OCC)=O)=O)s2)nc1C

InChI

InChI=1S/C21H31N5O3S/c1-6-8-9-17-14(3)23-26(16(17)5)20-22-15(4)18(30-20)19(27)24-10-12-25(13-11-24)21(28)29-7-2/h6-13H2,1-5H3

InChI Key

QJWZKQNKJVYRCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818022

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

433.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-3.79

Polar Surface Area

64.482

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

D314-0151 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D314-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0151?
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What is the minimum amount of D314-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0151
  • 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 D314-0151 available by request