C794-1265 Screening compound: 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C794-1265 Screening compound: 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
C794-1265 Screening compound: 2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1265
2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-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

C794-1265

Molecular Formula

C27H41N3O2 (C27 H41 N3 O2)

Compound Name

2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(NC1CCCCCCC1)=O)N(CCN1CCCCCC1)C2=O

InChI

InChI=1S/C27H41N3O2/c1-27(26(32)28-23-14-7-3-2-4-8-15-23)21-22-13-9-10-16-24(22)25(31)30(27)20-19-29-17-11-5-6-12-18-29/h9-10,13,16,23H,2-8,11-12,14-15,17-21H2,1H3,(H,28,32)/t27-/m0/s1

InChI Key

LMWLCJVWDFABDJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14796453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.526

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-5.27

Polar Surface Area

44.695

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.40

C794-1265 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C794-1265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1265?
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What is the minimum amount of C794-1265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1265
  • 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 C794-1265 available by request