E456-2301 Screening compound: 2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydroisoquinoline-4-carboxamide

E456-2301 Screening compound: 2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydroisoquinoline-4-carboxamide
E456-2301 Screening compound: 2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-2301
2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-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

E456-2301

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-12-dihydroisoquinoline-4-carboxamide

SMILES

COc1cccc(N(C=C(C(NCCc(cc2)ccc2S(N)(=O)=O)=O)c2c3cccc2)C3=O)c1

InChI

InChI=1S/C25H23N3O5S/c1-33-19-6-4-5-18(15-19)28-16-23(21-7-2-3-8-22(21)25(28)30)24(29)27-14-13-17-9-11-20(12-10-17)34(26,31)32/h2-12,15-16H,13-14H2,1H3,(H,27,29)(H2,26,31,32)

InChI Key

PUOYUAHIAURBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.585

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-2.62

Polar Surface Area

98.156

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E456-2301 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E456-2301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-2301?
Check Price and Availability of E456-2301, 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 E456-2301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-2301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-2301
  • 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 E456-2301 available by request