C795-2528 Screening compound: 4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-N-phenylpiperazine-1-carboxamide

C795-2528 Screening compound: 4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-N-phenylpiperazine-1-carboxamide
C795-2528 Screening compound: 4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-N-phenylpiperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-2528
4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-N-phenylpiperazine-1-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

C795-2528

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-N-phenylpiperazine-1-carboxamide

IUPAC name

4-({[(4-methylphenyl)methyl]carbamoyl}methyl)-3-oxo-N-phenylpiperazine-1-carboxamide

SMILES

Cc1ccc(CNC(CN(CCN(C2)C(Nc3ccccc3)=O)C2=O)=O)cc1

InChI

InChI=1S/C21H24N4O3/c1-16-7-9-17(10-8-16)13-22-19(26)14-24-11-12-25(15-20(24)27)21(28)23-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,22,26)(H,23,28)

InChI Key

QSUDXHLHZQHLDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-2.20

Polar Surface Area

66.817

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C795-2528 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C795-2528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-2528?
Check Price and Availability of C795-2528, 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 C795-2528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-2528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-2528
  • 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 C795-2528 available by request