C795-0896 Screening compound: N-[(2-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

C795-0896 Screening compound: N-[(2-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
C795-0896 Screening compound: N-[(2-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0896
N-[(2-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-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

C795-0896

Molecular Formula

C28H28ClN5O2 (C28 H28 ClN5 O2)

Compound Name

N-[(2-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

SMILES

Cc(c(C(N(CC1)CCC1C(NCc(cccc1)c1Cl)=O)=O)c1-n2cccc2)nn1-c1ccccc1

InChI

InChI=1S/C28H28ClN5O2/c1-20-25(27(32-15-7-8-16-32)34(31-20)23-10-3-2-4-11-23)28(36)33-17-13-21(14-18-33)26(35)30-19-22-9-5-6-12-24(22)29/h2-12,15-16,21H,13-14,17-19H2,1H3,(H,30,35)

InChI Key

KKVLFGZANQXRMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.55

Polar Surface Area

58.510

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C795-0896 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0896?
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What is the minimum amount of C795-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0896
  • 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 C795-0896 available by request