P734-2727 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide

P734-2727 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide
P734-2727 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P734-2727
N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-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

P734-2727

Molecular Formula

C27H35N3O3 (C27 H35 N3 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-4H6H7H8H9H10H-pyrido[12-a]azepine-1-carboxamide

SMILES

O=C(C(C(OCC1CC1)=C1)=C(CCCCC2)N2C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C27H35N3O3/c31-25-17-24(33-19-21-10-11-21)26(23-9-5-2-6-14-30(23)25)27(32)28-22-12-15-29(16-13-22)18-20-7-3-1-4-8-20/h1,3-4,7-8,17,21-22H,2,5-6,9-16,18-19H2,(H,28,32)

InChI Key

WUYBJHIEGYXZEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

1.871

Water Solubility, LogSw

-3.47

Polar Surface Area

52.451

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

P734-2727 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P734-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P734-2727?
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What is the minimum amount of P734-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P734-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P734-2727
  • 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 P734-2727 available by request