E456-1621 Screening compound: 2-(4-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydroisoquinoline-4-carboxamide

E456-1621 Screening compound: 2-(4-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydroisoquinoline-4-carboxamide
E456-1621 Screening compound: 2-(4-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E456-1621
2-(4-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

E456-1621

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C=C(C(NCCc(cc1)ccc1S(N)(=O)=O)=O)c1c2cccc1)C2=O

InChI

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

InChI Key

UIHJNOVMOVJUIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853959

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

1.388

Distribution Coefficient, logD

1.387

Water Solubility, LogSw

-2.35

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

E456-1621 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E456-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E456-1621?
Check Price and Availability of E456-1621, 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 E456-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E456-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E456-1621
  • 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 E456-1621 available by request