C794-1293 Screening compound: 2-benzyl-N-cyclohexyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C794-1293 Screening compound: 2-benzyl-N-cyclohexyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
C794-1293 Screening compound: 2-benzyl-N-cyclohexyl-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1293
2-benzyl-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

C794-1293

Molecular Formula

C24H28N2O2 (C24 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(Cc1c2cccc1)(C(NC1CCCCC1)=O)N(Cc1ccccc1)C2=O

InChI

InChI=1S/C24H28N2O2/c1-24(23(28)25-20-13-6-3-7-14-20)16-19-12-8-9-15-21(19)22(27)26(24)17-18-10-4-2-5-11-18/h2,4-5,8-12,15,20H,3,6-7,13-14,16-17H2,1H3,(H,25,28)/t24-/m0/s1

InChI Key

XRPHNDFIEIIAES-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14796468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-4.57

Polar Surface Area

40.072

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C794-1293 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C794-1293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1293?
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What is the minimum amount of C794-1293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1293
  • 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 C794-1293 available by request