C096-0716 Screening compound: N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C096-0716 Screening compound: N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C096-0716 Screening compound: N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0716
N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-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

C096-0716

Molecular Formula

C26H24ClFN2O4 (C26 H24 ClFN2 O4)

Compound Name

N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

COCCN(C(C(C(Nc(cc(cc1)Cl)c1OC)=O)c1c2cccc1)c(cc1)ccc1F)C2=O

InChI

InChI=1S/C26H24ClFN2O4/c1-33-14-13-30-24(16-7-10-18(28)11-8-16)23(19-5-3-4-6-20(19)26(30)32)25(31)29-21-15-17(27)9-12-22(21)34-2/h3-12,15,23-24H,13-14H2,1-2H3,(H,29,31)

InChI Key

UCQNDBKGHMFNDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.94

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

4.492

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-4.75

Polar Surface Area

54.267

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.08

C096-0716 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C096-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0716?
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What is the minimum amount of C096-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0716
  • 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 C096-0716 available by request