S752-0428 Screening compound: N-benzyl-4-{[4-(2-acetamidoethyl)phenyl]methyl}piperidine-1-carboxamide

S752-0428 Screening compound: N-benzyl-4-{[4-(2-acetamidoethyl)phenyl]methyl}piperidine-1-carboxamide
S752-0428 Screening compound: N-benzyl-4-{[4-(2-acetamidoethyl)phenyl]methyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S752-0428
N-benzyl-4-{[4-(2-acetamidoethyl)phenyl]methyl}piperidine-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

S752-0428

Molecular Formula

C24H31N3O2 (C24 H31 N3 O2)

Compound Name

N-benzyl-4-{[4-(2-acetamidoethyl)phenyl]methyl}piperidine-1-carboxamide

IUPAC name

N-benzyl-4-{[4-(2-acetamidoethyl)phenyl]methyl}piperidine-1-carboxamide

SMILES

CC(NCCc1ccc(CC(CC2)CCN2C(NCc2ccccc2)=O)cc1)=O

InChI

InChI=1S/C24H31N3O2/c1-19(28)25-14-11-20-7-9-21(10-8-20)17-22-12-15-27(16-13-22)24(29)26-18-23-5-3-2-4-6-23/h2-10,22H,11-18H2,1H3,(H,25,28)(H,26,29)

InChI Key

MLLYUVJLBNWSQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.06

Polar Surface Area

51.184

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

S752-0428 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S752-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S752-0428?
Check Price and Availability of S752-0428, 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 S752-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S752-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S752-0428
  • 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 S752-0428 available by request