C096-1209 Screening compound: N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C096-1209 Screening compound: N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C096-1209 Screening compound: N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-1209
N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-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

C096-1209

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cc(cc1)cc(NC(C(C(c(cc2)ccc2OC)N2C)c(cccc3)c3C2=O)=O)c1OC

InChI

InChI=1S/C26H26N2O4/c1-16-9-14-22(32-4)21(15-16)27-25(29)23-19-7-5-6-8-20(19)26(30)28(2)24(23)17-10-12-18(31-3)13-11-17/h5-15,23-24H,1-4H3,(H,27,29)

InChI Key

HTTLFEZENOANPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.97

Polar Surface Area

53.256

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

C096-1209 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C096-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-1209?
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What is the minimum amount of C096-1209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-1209
  • 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 C096-1209 available by request