C794-1242 Screening compound: N-cyclooctyl-3-methyl-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C794-1242 Screening compound: N-cyclooctyl-3-methyl-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
C794-1242 Screening compound: N-cyclooctyl-3-methyl-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1242
N-cyclooctyl-3-methyl-2-[3-(morpholin-4-yl)propyl]-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

C794-1242

Molecular Formula

C26H39N3O3 (C26 H39 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Cc1c2cccc1)(C(NC1CCCCCCC1)=O)N(CCCN1CCOCC1)C2=O

InChI

InChI=1S/C26H39N3O3/c1-26(25(31)27-22-11-5-3-2-4-6-12-22)20-21-10-7-8-13-23(21)24(30)29(26)15-9-14-28-16-18-32-19-17-28/h7-8,10,13,22H,2-6,9,11-12,14-20H2,1H3,(H,27,31)/t26-/m0/s1

InChI Key

QIKJSHUEIPYTQA-SANMLTNESA-N

MDL Number (MFCD)

MFCD14796430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.12

Polar Surface Area

52.272

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

C794-1242 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C794-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1242?
Check Price and Availability of C794-1242, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C794-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1242
  • 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 C794-1242 available by request