C115-0342 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C115-0342 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C115-0342 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0342
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-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

C115-0342

Molecular Formula

C28H29FN2O6 (C28 H29 FN2 O6)

Compound Name

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

IUPAC name

3-(34-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-67-dimethoxy-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(NCc(cc1)ccc1F)=O)c(cc1OC)c2cc1OC)c(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C28H29FN2O6/c1-31-26(17-8-11-21(34-2)22(12-17)35-3)25(27(32)30-15-16-6-9-18(29)10-7-16)19-13-23(36-4)24(37-5)14-20(19)28(31)33/h6-14,25-26H,15H2,1-5H3,(H,30,32)

InChI Key

ONXGETRVFBRTNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.494

Water Solubility, LogSw

-3.04

Polar Surface Area

70.623

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C115-0342 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C115-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0342?
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What is the minimum amount of C115-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0342
  • 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 C115-0342 available by request