P734-2542 Screening compound: 2-ethoxy-N-ethyl-4-oxo-N-[(pyridin-4-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide

P734-2542 Screening compound: 2-ethoxy-N-ethyl-4-oxo-N-[(pyridin-4-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide
P734-2542 Screening compound: 2-ethoxy-N-ethyl-4-oxo-N-[(pyridin-4-yl)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P734-2542
2-ethoxy-N-ethyl-4-oxo-N-[(pyridin-4-yl)methyl]-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

P734-2542

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(Cc1ccncc1)C(C(C(OCC)=C1)=C(CCCCC2)N2C1=O)=O

InChI

InChI=1S/C21H27N3O3/c1-3-23(15-16-9-11-22-12-10-16)21(26)20-17-8-6-5-7-13-24(17)19(25)14-18(20)27-4-2/h9-12,14H,3-8,13,15H2,1-2H3

InChI Key

LPJREAPPTKBTBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.797

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-1.93

Polar Surface Area

49.509

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

P734-2542 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P734-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P734-2542?
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What is the minimum amount of P734-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P734-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P734-2542
  • 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 P734-2542 available by request