C125-0518 Screening compound: 6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

C125-0518 Screening compound: 6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one
C125-0518 Screening compound: 6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C125-0518
6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

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

C125-0518

Molecular Formula

C29H32N4O5 (C29 H32 N4 O5)

Compound Name

6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

67-dimethoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(pyridin-3-yl)-1234-tetrahydroisoquinolin-1-one

SMILES

CN(C(C(C(N(CC1)CCN1c(cc1)ccc1OC)=O)c(cc1OC)c2cc1OC)c1cnccc1)C2=O

InChI

InChI=1S/C29H32N4O5/c1-31-27(19-6-5-11-30-18-19)26(22-16-24(37-3)25(38-4)17-23(22)28(31)34)29(35)33-14-12-32(13-15-33)20-7-9-21(36-2)10-8-20/h5-11,16-18,26-27H,12-15H2,1-4H3

InChI Key

QEORKGHJFNAIHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.62

Polar Surface Area

67.920

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

C125-0518 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 C125-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C125-0518?
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What is the minimum amount of C125-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C125-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C125-0518
  • 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 C125-0518 available by request