D458-0868 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

D458-0868 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
D458-0868 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0868
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

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

D458-0868

Molecular Formula

C26H26ClN5OS (C26 H26 ClN5 OS)

Compound Name

2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

IUPAC name

2-{1-[4-(4-chlorophenyl)-13-thiazol-2-yl]-35-dimethyl-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one

SMILES

Cc1c(CC(N(CC2)CCN2c2ccccc2)=O)c(C)nn1-c1nc(-c(cc2)ccc2Cl)cs1

InChI

InChI=1S/C26H26ClN5OS/c1-18-23(16-25(33)31-14-12-30(13-15-31)22-6-4-3-5-7-22)19(2)32(29-18)26-28-24(17-34-26)20-8-10-21(27)11-9-20/h3-11,17H,12-16H2,1-2H3

InChI Key

HZTSAHMMVFYYAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27587940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.551

Distribution Coefficient, logD

5.551

Water Solubility, LogSw

-5.98

Polar Surface Area

43.587

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D458-0868 in Drug Discovery

Included in Screening Libraries

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D458-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0868?
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What is the minimum amount of D458-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0868
  • 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 D458-0868 available by request