C429-0190 Screening compound: N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide

C429-0190 Screening compound: N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide
C429-0190 Screening compound: N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0190
N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide

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

C429-0190

Molecular Formula

C22H23ClN4OS (C22 H23 ClN4 OS)

Compound Name

N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide

IUPAC name

N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide

SMILES

Cc(ccc(NC(N(CC1)CCC1c(cc1O)nn1-c1ccccc1)=S)c1)c1Cl

InChI

InChI=1S/C22H23ClN4OS/c1-15-7-8-17(13-19(15)23)24-22(29)26-11-9-16(10-12-26)20-14-21(28)27(25-20)18-5-3-2-4-6-18/h2-8,13-14,16,28H,9-12H2,1H3,(H,24,29)

InChI Key

KEHXAGYCTIKCDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.402

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-5.55

Polar Surface Area

41.431

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C429-0190 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C429-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0190?
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What is the minimum amount of C429-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0190
  • 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 C429-0190 available by request