E693-0456 Screening compound: 1-benzyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

E693-0456 Screening compound: 1-benzyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
E693-0456 Screening compound: 1-benzyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E693-0456
1-benzyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

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

E693-0456

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

1-benzyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

IUPAC name

1-benzyl-3-({[2-(4-sulfamoylphenyl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid

SMILES

NS(c1ccc(CCNCc2c(C(O)=O)n(Cc3ccccc3)c3c2cccc3)cc1)(=O)=O

InChI

InChI=1S/C25H25N3O4S/c26-33(31,32)20-12-10-18(11-13-20)14-15-27-16-22-21-8-4-5-9-23(21)28(24(22)25(29)30)17-19-6-2-1-3-7-19/h1-13,27H,14-17H2,(H,29,30)(H2,26,31,32)

InChI Key

FEDWUWWEKALWIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-2.70

Polar Surface Area

91.087

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E693-0456 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with E693-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E693-0456?
Check Price and Availability of E693-0456, 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 E693-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E693-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E693-0456
  • 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 E693-0456 available by request