D314-0283 Screening compound: 2-[4-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethan-1-ol

D314-0283 Screening compound: 2-[4-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethan-1-ol
D314-0283 Screening compound: 2-[4-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0283
2-[4-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethan-1-ol

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

D314-0283

Molecular Formula

C23H28ClN5O2S (C23 H28 ClN5 O2 S)

Compound Name

2-[4-(2-{4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethan-1-ol

IUPAC name

2-[4-(2-{4-[(4-chlorophenyl)methyl]-35-dimethyl-1H-pyrazol-1-yl}-4-methyl-13-thiazole-5-carbonyl)piperazin-1-yl]ethan-1-ol

SMILES

Cc1c(Cc(cc2)ccc2Cl)c(C)nn1-c1nc(C)c(C(N2CCN(CCO)CC2)=O)s1

InChI

InChI=1S/C23H28ClN5O2S/c1-15-20(14-18-4-6-19(24)7-5-18)17(3)29(26-15)23-25-16(2)21(32-23)22(31)28-10-8-27(9-11-28)12-13-30/h4-7,30H,8-14H2,1-3H3

InChI Key

PWDDVSVOONKHEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818111

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

474.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.50

Polar Surface Area

61.876

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D314-0283 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D314-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0283?
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What is the minimum amount of D314-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0283
  • 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 D314-0283 available by request