D458-0871 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(2-ethylpiperidin-1-yl)ethan-1-one

D458-0871 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(2-ethylpiperidin-1-yl)ethan-1-one
D458-0871 Screening compound: 2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(2-ethylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D458-0871
2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-(2-ethylpiperidin-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

D458-0871

Molecular Formula

C23H27ClN4OS (C23 H27 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC(CCCC1)N1C(Cc1c(C)n(-c2nc(-c(cc3)ccc3Cl)cs2)nc1C)=O

InChI

InChI=1S/C23H27ClN4OS/c1-4-19-7-5-6-12-27(19)22(29)13-20-15(2)26-28(16(20)3)23-25-21(14-30-23)17-8-10-18(24)11-9-17/h8-11,14,19H,4-7,12-13H2,1-3H3/t19-/m0/s1

InChI Key

WQBOHRSSEDTGSO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27587941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.605

Distribution Coefficient, logD

5.605

Water Solubility, LogSw

-5.93

Polar Surface Area

39.972

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D458-0871 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D458-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D458-0871?
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What is the minimum amount of D458-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D458-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D458-0871
  • 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 D458-0871 available by request