P734-2538 Screening compound: N-(1-benzylpiperidin-4-yl)-2-ethoxy-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide

P734-2538 Screening compound: N-(1-benzylpiperidin-4-yl)-2-ethoxy-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide
P734-2538 Screening compound: N-(1-benzylpiperidin-4-yl)-2-ethoxy-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P734-2538
N-(1-benzylpiperidin-4-yl)-2-ethoxy-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

P734-2538

Molecular Formula

C25H33N3O3 (C25 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(NC1CCN(Cc2ccccc2)CC1)=O)=C1N2CCCCC1)=CC2=O

InChI

InChI=1S/C25H33N3O3/c1-2-31-22-17-23(29)28-14-8-4-7-11-21(28)24(22)25(30)26-20-12-15-27(16-13-20)18-19-9-5-3-6-10-19/h3,5-6,9-10,17,20H,2,4,7-8,11-16,18H2,1H3,(H,26,30)

InChI Key

NBUSMLZFAHDKCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

1.474

Water Solubility, LogSw

-3.26

Polar Surface Area

51.824

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

P734-2538 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P734-2538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P734-2538?
Check Price and Availability of P734-2538, 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 P734-2538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P734-2538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P734-2538
  • 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 P734-2538 available by request