F434-0748 Screening compound: 1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxamide

F434-0748 Screening compound: 1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxamide
F434-0748 Screening compound: 1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F434-0748
1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]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

F434-0748

Molecular Formula

C18H16ClN3OS (C18 H16 ClN3 OS)

Compound Name

1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxamide

IUPAC name

1-(4-chlorophenyl)-N-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrazole-4-carboxamide

SMILES

CSc1ccc(CNC(c2cn(-c(cc3)ccc3Cl)nc2)=O)cc1

InChI

InChI=1S/C18H16ClN3OS/c1-24-17-8-2-13(3-9-17)10-20-18(23)14-11-21-22(12-14)16-6-4-15(19)5-7-16/h2-9,11-12H,10H2,1H3,(H,20,23)

InChI Key

JNHKNCRZUKVQSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.123

Water Solubility, LogSw

-4.45

Polar Surface Area

39.009

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F434-0748 in Drug Discovery

Included in Screening Libraries

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

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F434-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F434-0748?
Check Price and Availability of F434-0748, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F434-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F434-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F434-0748
  • 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 F434-0748 available by request