C614-0888 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

C614-0888 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide
C614-0888 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0888
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-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

C614-0888

Molecular Formula

C22H22ClFN4O2 (C22 H22 ClFN4 O2)

Compound Name

N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide

SMILES

COc(ccc(NC(c1c(C2CCNCC2)n(-c(cc2)ccc2F)nc1)=O)c1)c1Cl

InChI

InChI=1S/C22H22ClFN4O2/c1-30-20-7-4-16(12-19(20)23)27-22(29)18-13-26-28(17-5-2-15(24)3-6-17)21(18)14-8-10-25-11-9-14/h2-7,12-14,25H,8-11H2,1H3,(H,27,29)

InChI Key

INOQHSUKCVLSNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776338

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

428.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

-0.365

Water Solubility, LogSw

-3.53

Polar Surface Area

55.936

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

10.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C614-0888 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 C614-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0888?
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What is the minimum amount of C614-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0888
  • 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 C614-0888 available by request