4456-3476 Screening compound: ethyl 2-phenyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

4456-3476 Screening compound: ethyl 2-phenyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate
4456-3476 Screening compound: ethyl 2-phenyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3476
ethyl 2-phenyl-5-(2,4,6-trimethylbenzenesulfonamido)-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

4456-3476

Molecular Formula

C26H25NO5S (C26 H25 NO5 S)

Compound Name

ethyl 2-phenyl-5-(2,4,6-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

IUPAC name

ethyl 2-phenyl-5-(246-trimethylbenzenesulfonamido)-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2NS(c1c(C)cc(C)cc1C)(=O)=O)=O

InChI

InChI=1S/C26H25NO5S/c1-5-31-26(28)23-21-15-20(11-12-22(21)32-24(23)19-9-7-6-8-10-19)27-33(29,30)25-17(3)13-16(2)14-18(25)4/h6-15,27H,5H2,1-4H3

InChI Key

OLACZYXAPQDDNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

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

6.878

Distribution Coefficient, logD

6.231

Water Solubility, LogSw

-5.69

Polar Surface Area

69.896

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

-11.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

4456-3476 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4456-3476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3476?
Check Price and Availability of 4456-3476, 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 4456-3476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3476
  • 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 4456-3476 available by request