P734-2749 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(cyclopropylmethoxy)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide

P734-2749 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(cyclopropylmethoxy)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-a]azepine-1-carboxamide
P734-2749 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-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 P734-2749
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

P734-2749

Molecular Formula

C23H32N2O3 (C23 H32 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C(OCC1CC1)=C1)=C(CCCCC2)N2C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C23H32N2O3/c26-21-15-20(28-16-18-10-11-18)22(19-9-5-2-6-14-25(19)21)23(27)24-13-12-17-7-3-1-4-8-17/h7,15,18H,1-6,8-14,16H2,(H,24,27)

InChI Key

ICEQYZJMLBWIDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.36

Polar Surface Area

49.219

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

P734-2749 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P734-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P734-2749?
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What is the minimum amount of P734-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P734-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P734-2749
  • 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 P734-2749 available by request