8020-4158 Screening compound: 1-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

8020-4158 Screening compound: 1-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
8020-4158 Screening compound: 1-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4158
1-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

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

8020-4158

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

1-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

IUPAC name

1-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

SMILES

COc1ccc(CNC(c2cn(-c3cccc(Cl)c3)nc2)=O)cc1

InChI

InChI=1S/C18H16ClN3O2/c1-24-17-7-5-13(6-8-17)10-20-18(23)14-11-21-22(12-14)16-4-2-3-15(19)9-16/h2-9,11-12H,10H2,1H3,(H,20,23)

InChI Key

NOKHPBBUAMOJCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.72

Polar Surface Area

46.553

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8020-4158 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8020-4158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4158?
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What is the minimum amount of 8020-4158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4158
  • 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 8020-4158 available by request