C794-1237 Screening compound: N-cycloheptyl-3-methyl-2-(1-methyl-3-phenylpropyl)-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

C794-1237 Screening compound: N-cycloheptyl-3-methyl-2-(1-methyl-3-phenylpropyl)-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
C794-1237 Screening compound: N-cycloheptyl-3-methyl-2-(1-methyl-3-phenylpropyl)-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1237
N-cycloheptyl-3-methyl-2-(1-methyl-3-phenylpropyl)-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

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

C794-1237

Molecular Formula

C28H36N2O2 (C28 H36 N2 O2)

Compound Name

N-cycloheptyl-3-methyl-2-(1-methyl-3-phenylpropyl)-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

IUPAC name

N-cycloheptyl-3-methyl-1-oxo-2-(4-phenylbutan-2-yl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(CCc1ccccc1)N(C(C)(Cc1c2cccc1)C(NC1CCCCCC1)=O)C2=O

InChI

InChI=1S/C28H36N2O2/c1-21(18-19-22-12-6-5-7-13-22)30-26(31)25-17-11-10-14-23(25)20-28(30,2)27(32)29-24-15-8-3-4-9-16-24/h5-7,10-14,17,21,24H,3-4,8-9,15-16,18-20H2,1-2H3,(H,29,32)

InChI Key

LTTLICYLDIHHSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.047

Distribution Coefficient, logD

6.047

Water Solubility, LogSw

-5.39

Polar Surface Area

39.708

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C794-1237 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C794-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1237?
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What is the minimum amount of C794-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1237
  • 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 C794-1237 available by request