C197-0058 Screening compound: 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C197-0058 Screening compound: 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C197-0058 Screening compound: 6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0058
6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-N-(propan-2-yl)-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

C197-0058

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(C(C(c(cc1)ccc1SC)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O

InChI

InChI=1S/C23H28N2O4S/c1-13(2)24-22(26)20-16-11-18(28-4)19(29-5)12-17(16)23(27)25(3)21(20)14-7-9-15(30-6)10-8-14/h7-13,20-21H,1-6H3,(H,24,26)

InChI Key

VNTNFCLTJKCLKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

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

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.50

Polar Surface Area

54.608

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

C197-0058 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 C197-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0058?
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What is the minimum amount of C197-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0058
  • 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 C197-0058 available by request