4456-0552 Screening compound: pentyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

4456-0552 Screening compound: pentyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
4456-0552 Screening compound: pentyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-0552
pentyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-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

4456-0552

Molecular Formula

C23H27NO6S (C23 H27 NO6 S)

Compound Name

pentyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

pentyl 5-(4-ethoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCCCCOC(c1c(C)oc(cc2)c1cc2NS(c(cc1)ccc1OCC)(=O)=O)=O

InChI

InChI=1S/C23H27NO6S/c1-4-6-7-14-29-23(25)22-16(3)30-21-13-8-17(15-20(21)22)24-31(26,27)19-11-9-18(10-12-19)28-5-2/h8-13,15,24H,4-7,14H2,1-3H3

InChI Key

HBVIKGRTDLFQHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03470937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.762

Distribution Coefficient, logD

5.757

Water Solubility, LogSw

-5.38

Polar Surface Area

77.007

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-12.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

4456-0552 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4456-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-0552?
Check Price and Availability of 4456-0552, 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 4456-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-0552
  • 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 4456-0552 available by request