C612-0094 Screening compound: N-(4-ethylphenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

C612-0094 Screening compound: N-(4-ethylphenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide
C612-0094 Screening compound: N-(4-ethylphenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0094
N-(4-ethylphenyl)-1-phenyl-5-(piperidin-4-yl)-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

C612-0094

Molecular Formula

C23H26N4O (C23 H26 N4 O)

Compound Name

N-(4-ethylphenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-(4-ethylphenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

SMILES

CCc(cc1)ccc1NC(c1c(C2CCNCC2)n(-c2ccccc2)nc1)=O

InChI

InChI=1S/C23H26N4O/c1-2-17-8-10-19(11-9-17)26-23(28)21-16-25-27(20-6-4-3-5-7-20)22(21)18-12-14-24-15-13-18/h3-11,16,18,24H,2,12-15H2,1H3,(H,26,28)

InChI Key

YJXBYAGTSQAGGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775525

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

-0.095

Water Solubility, LogSw

-3.56

Polar Surface Area

48.305

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C612-0094 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with C612-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0094?
Check Price and Availability of C612-0094, 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 C612-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0094
  • 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 C612-0094 available by request