C358-0078 Screening compound: 10,11-dimethoxy-13-{[4-(2-pyridyl)piperazino]carbonyl}-5,6,13,13a-tetrahydro-8H-isoquino[3,2-a]isoquinolin-8-one

C358-0078 Screening compound: 10,11-dimethoxy-13-{[4-(2-pyridyl)piperazino]carbonyl}-5,6,13,13a-tetrahydro-8H-isoquino[3,2-a]isoquinolin-8-one
C358-0078 Screening compound: 10,11-dimethoxy-13-{[4-(2-pyridyl)piperazino]carbonyl}-5,6,13,13a-tetrahydro-8H-isoquino[3,2-a]isoquinolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C358-0078
10,11-dimethoxy-13-{[4-(2-pyridyl)piperazino]carbonyl}-5,6,13,13a-tetrahydro-8H-isoquino[3,2-a]isoquinolin-8-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

C358-0078

Molecular Formula

C29H30N4O4 (C29 H30 N4 O4)

Compound Name

10,11-dimethoxy-13-{[4-(2-pyridyl)piperazino]carbonyl}-5,6,13,13a-tetrahydro-8H-isoquino[3,2-a]isoquinolin-8-one

IUPAC name

23-dimethoxy-13-[4-(pyridin-2-yl)piperazine-1-carbonyl]-7812b13-tetrahydro-5H-6-azatetraphen-5-one

SMILES

COc(c(OC)c1)cc(C(C2N3CCc4c2cccc4)C(N(CC2)CCN2c2ncccc2)=O)c1C3=O

InChI

InChI=1S/C29H30N4O4/c1-36-23-17-21-22(18-24(23)37-2)28(34)33-12-10-19-7-3-4-8-20(19)27(33)26(21)29(35)32-15-13-31(14-16-32)25-9-5-6-11-30-25/h3-9,11,17-18,26-27H,10,12-16H2,1-2H3

InChI Key

XRSUIHFCORSDSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.60

Polar Surface Area

59.627

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.48

C358-0078 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 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 C358-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C358-0078?
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What is the minimum amount of C358-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C358-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C358-0078
  • 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 C358-0078 available by request