C794-1253 Screening compound: N-cyclooctyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C794-1253 Screening compound: N-cyclooctyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
C794-1253 Screening compound: N-cyclooctyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1253
N-cyclooctyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-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

C794-1253

Molecular Formula

C29H38N2O4 (C29 H38 N2 O4)

Compound Name

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

IUPAC name

N-cyclooctyl-2-[2-(34-dimethoxyphenyl)ethyl]-3-methyl-1-oxo-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

CC(Cc1c2cccc1)(C(NC1CCCCCCC1)=O)N(CCc(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C29H38N2O4/c1-29(28(33)30-23-12-7-5-4-6-8-13-23)20-22-11-9-10-14-24(22)27(32)31(29)18-17-21-15-16-25(34-2)26(19-21)35-3/h9-11,14-16,19,23H,4-8,12-13,17-18,20H2,1-3H3,(H,30,33)/t29-/m0/s1

InChI Key

PAOWRUDWSHAVPG-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14796441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.570

Distribution Coefficient, logD

5.570

Water Solubility, LogSw

-5.32

Polar Surface Area

55.642

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

C794-1253 in Drug Discovery

Included in Screening Libraries

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 C794-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1253?
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What is the minimum amount of C794-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1253
  • 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 C794-1253 available by request