C794-1245 Screening compound: N-cyclooctyl-3-methyl-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C794-1245 Screening compound: N-cyclooctyl-3-methyl-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
C794-1245 Screening compound: N-cyclooctyl-3-methyl-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1245
N-cyclooctyl-3-methyl-2-[2-(morpholin-4-yl)ethyl]-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

C794-1245

Molecular Formula

C25H37N3O3 (C25 H37 N3 O3)

Compound Name

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

IUPAC name

N-cyclooctyl-3-methyl-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(NC1CCCCCCC1)=O)N(CCN1CCOCC1)C2=O

InChI

InChI=1S/C25H37N3O3/c1-25(24(30)26-21-10-5-3-2-4-6-11-21)19-20-9-7-8-12-22(20)23(29)28(25)14-13-27-15-17-31-18-16-27/h7-9,12,21H,2-6,10-11,13-19H2,1H3,(H,26,30)/t25-/m0/s1

InChI Key

DWTMFMNPULZAJW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14796433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-3.92

Polar Surface Area

52.272

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

C794-1245 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 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

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

References: we are preparing a list of scientific research reports with C794-1245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1245?
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What is the minimum amount of C794-1245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1245
  • 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 C794-1245 available by request