C612-0131 Screening compound: N-(2,5-difluorophenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

C612-0131 Screening compound: N-(2,5-difluorophenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide
C612-0131 Screening compound: N-(2,5-difluorophenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0131
N-(2,5-difluorophenyl)-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

C612-0131

Molecular Formula

C21H20F2N4O (C21 H20 F2 N4 O)

Compound Name

N-(2,5-difluorophenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-(25-difluorophenyl)-1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

SMILES

O=C(c1c(C2CCNCC2)n(-c2ccccc2)nc1)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C21H20F2N4O/c22-15-6-7-18(23)19(12-15)26-21(28)17-13-25-27(16-4-2-1-3-5-16)20(17)14-8-10-24-11-9-14/h1-7,12-14,24H,8-11H2,(H,26,28)

InChI Key

ZLCOQPNNEAYAEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775527

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

382.41

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

2.821

Distribution Coefficient, logD

-0.660

Water Solubility, LogSw

-3.41

Polar Surface Area

47.607

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C612-0131 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0131?
Check Price and Availability of C612-0131, 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 C612-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0131
  • 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 C612-0131 available by request