C197-0024 Screening compound: N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C197-0024 Screening compound: N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C197-0024 Screening compound: N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0024
N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-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

C197-0024

Molecular Formula

C26H24ClFN2O4S (C26 H24 ClFN2 O4 S)

Compound Name

N-(2-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(2-chloro-4-fluorophenyl)-67-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(Nc(ccc(F)c1)c1Cl)=O)c(cc1OC)c2cc1OC)c(cc1)ccc1SC)C2=O

InChI

InChI=1S/C26H24ClFN2O4S/c1-30-24(14-5-8-16(35-4)9-6-14)23(25(31)29-20-10-7-15(28)11-19(20)27)17-12-21(33-2)22(34-3)13-18(17)26(30)32/h5-13,23-24H,1-4H3,(H,29,31)

InChI Key

JYVBAINVTMCRRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-5.02

Polar Surface Area

53.343

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C197-0024 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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 C197-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0024?
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What is the minimum amount of C197-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0024
  • 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 C197-0024 available by request