E456-2097 Screening compound: N-[3-(diethylamino)propyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

E456-2097 Screening compound: N-[3-(diethylamino)propyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
E456-2097 Screening compound: N-[3-(diethylamino)propyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-2097
N-[3-(diethylamino)propyl]-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

E456-2097

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

N-[3-(diethylamino)propyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-[3-(diethylamino)propyl]-2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(CC)CCCNC(C(c1c2cccc1)=CN(c1cc(OC)ccc1)C2=O)=O

InChI

InChI=1S/C24H29N3O3/c1-4-26(5-2)15-9-14-25-23(28)22-17-27(18-10-8-11-19(16-18)30-3)24(29)21-13-7-6-12-20(21)22/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3,(H,25,28)

InChI Key

DQDDJGGORNUYMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.630

Distribution Coefficient, logD

-0.091

Water Solubility, LogSw

-3.14

Polar Surface Area

51.236

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E456-2097 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E456-2097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-2097?
Check Price and Availability of E456-2097, 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 E456-2097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-2097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-2097
  • 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 E456-2097 available by request