C794-1295 Screening compound: N-cyclohexyl-2-(2-furylmethyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

C794-1295 Screening compound: N-cyclohexyl-2-(2-furylmethyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
C794-1295 Screening compound: N-cyclohexyl-2-(2-furylmethyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1295
N-cyclohexyl-2-(2-furylmethyl)-3-methyl-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

C794-1295

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

N-cyclohexyl-2-(2-furylmethyl)-3-methyl-1-oxo-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

IUPAC name

N-cyclohexyl-2-[(furan-2-yl)methyl]-3-methyl-1-oxo-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(NC1CCCCC1)=O)N(Cc1ccco1)C2=O

InChI

InChI=1S/C22H26N2O3/c1-22(21(26)23-17-9-3-2-4-10-17)14-16-8-5-6-12-19(16)20(25)24(22)15-18-11-7-13-27-18/h5-8,11-13,17H,2-4,9-10,14-15H2,1H3,(H,23,26)/t22-/m0/s1

InChI Key

UWIMLIXAECXIGE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14796470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.30

Polar Surface Area

47.820

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

C794-1295 in Drug Discovery

Included in Screening Libraries

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

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

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1295?
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What is the minimum amount of C794-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1295
  • 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 C794-1295 available by request