P391-0952 Screening compound: N~3~,N~3~-dimethyl-2-[(1-phenethyl-4-piperidyl)oxy]nicotinamide

P391-0952 Screening compound: N~3~,N~3~-dimethyl-2-[(1-phenethyl-4-piperidyl)oxy]nicotinamide
P391-0952 Screening compound: N~3~,N~3~-dimethyl-2-[(1-phenethyl-4-piperidyl)oxy]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P391-0952
N~3~,N~3~-dimethyl-2-[(1-phenethyl-4-piperidyl)oxy]nicotinamide

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

P391-0952

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

N~3~,N~3~-dimethyl-2-[(1-phenethyl-4-piperidyl)oxy]nicotinamide

IUPAC name

NN-dimethyl-2-{[1-(2-phenylethyl)piperidin-4-yl]oxy}pyridine-3-carboxamide

SMILES

CN(C)C(c(cccn1)c1OC1CCN(CCc2ccccc2)CC1)=O

InChI

InChI=1S/C21H27N3O2/c1-23(2)21(25)19-9-6-13-22-20(19)26-18-11-15-24(16-12-18)14-10-17-7-4-3-5-8-17/h3-9,13,18H,10-12,14-16H2,1-2H3

InChI Key

NQTBNBRMBQOQQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

0.648

Water Solubility, LogSw

-2.72

Polar Surface Area

36.017

Acid Dissociation Constant (pKa)

25.89

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

P391-0952 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P391-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P391-0952?
Check Price and Availability of P391-0952, 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 P391-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P391-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P391-0952
  • 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 P391-0952 available by request