E456-2219 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

E456-2219 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
E456-2219 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-2219
N-(1-benzylpiperidin-4-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-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

E456-2219

Molecular Formula

C29H29N3O3 (C29 H29 N3 O3)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

COc1cccc(N(C=C(C(NC2CCN(Cc3ccccc3)CC2)=O)c2c3cccc2)C3=O)c1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-4.11

Polar Surface Area

50.977

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

E456-2219 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E456-2219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-2219?
Check Price and Availability of E456-2219, 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 E456-2219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-2219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-2219
  • 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 E456-2219 available by request