4456-3475 Screening compound: ethyl 5-(2,4-dimethylbenzenesulfonamido)-2-phenyl-1-benzofuran-3-carboxylate

4456-3475 Screening compound: ethyl 5-(2,4-dimethylbenzenesulfonamido)-2-phenyl-1-benzofuran-3-carboxylate
4456-3475 Screening compound: ethyl 5-(2,4-dimethylbenzenesulfonamido)-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3475
ethyl 5-(2,4-dimethylbenzenesulfonamido)-2-phenyl-1-benzofuran-3-carboxylate

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

4456-3475

Molecular Formula

C25H23NO5S (C25 H23 NO5 S)

Compound Name

ethyl 5-(2,4-dimethylbenzenesulfonamido)-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-(24-dimethylbenzenesulfonamido)-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2NS(c1c(C)cc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C25H23NO5S/c1-4-30-25(27)23-20-15-19(26-32(28,29)22-13-10-16(2)14-17(22)3)11-12-21(20)31-24(23)18-8-6-5-7-9-18/h5-15,26H,4H2,1-3H3

InChI Key

DWWYROLTQNAADG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.325

Distribution Coefficient, logD

6.099

Water Solubility, LogSw

-5.51

Polar Surface Area

69.896

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-11.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

4456-3475 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4456-3475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3475?
Check Price and Availability of 4456-3475, 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 4456-3475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3475
  • 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 4456-3475 available by request