C794-1291 Screening compound: 2-cycloheptyl-N-cyclohexyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C794-1291 Screening compound: 2-cycloheptyl-N-cyclohexyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
C794-1291 Screening compound: 2-cycloheptyl-N-cyclohexyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1291
2-cycloheptyl-N-cyclohexyl-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

C794-1291

Molecular Formula

C24H34N2O2 (C24 H34 N2 O2)

Compound Name

2-cycloheptyl-N-cyclohexyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

2-cycloheptyl-N-cyclohexyl-3-methyl-1-oxo-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(NC1CCCCC1)=O)N(C1CCCCCC1)C2=O

InChI

InChI=1S/C24H34N2O2/c1-24(23(28)25-19-12-5-4-6-13-19)17-18-11-9-10-16-21(18)22(27)26(24)20-14-7-2-3-8-15-20/h9-11,16,19-20H,2-8,12-15,17H2,1H3,(H,25,28)/t24-/m0/s1

InChI Key

IBZIJXDQBRKBPF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14796466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-5.33

Polar Surface Area

39.624

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

C794-1291 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C794-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1291?
Check Price and Availability of C794-1291, 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 C794-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1291
  • 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 C794-1291 available by request