E456-2112 Screening compound: 2-(3-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1(2H)-isoquinolinone

E456-2112 Screening compound: 2-(3-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1(2H)-isoquinolinone
E456-2112 Screening compound: 2-(3-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1(2H)-isoquinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-2112
2-(3-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1(2H)-isoquinolinone

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

E456-2112

Molecular Formula

C26H24N4O3 (C26 H24 N4 O3)

Compound Name

2-(3-methoxyphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1(2H)-isoquinolinone

IUPAC name

n/a

SMILES

COc1cccc(N(C=C(C(N(CC2)CCN2c2ncccc2)=O)c2c3cccc2)C3=O)c1

InChI

InChI=1S/C26H24N4O3/c1-33-20-8-6-7-19(17-20)30-18-23(21-9-2-3-10-22(21)26(30)32)25(31)29-15-13-28(14-16-29)24-11-4-5-12-27-24/h2-12,17-18H,13-16H2,1H3

InChI Key

TZWSAZFYEBFZGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.53

Polar Surface Area

51.718

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E456-2112 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E456-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-2112?
Check Price and Availability of E456-2112, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E456-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-2112
  • 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 E456-2112 available by request