7202-2457 Screening compound: butyl 5-(4-fluoro-2-methylbenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

7202-2457 Screening compound: butyl 5-(4-fluoro-2-methylbenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
7202-2457 Screening compound: butyl 5-(4-fluoro-2-methylbenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7202-2457
butyl 5-(4-fluoro-2-methylbenzenesulfonamido)-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

7202-2457

Molecular Formula

C21H22FNO5S (C21 H22 FNO5 S)

Compound Name

butyl 5-(4-fluoro-2-methylbenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

butyl 5-(4-fluoro-2-methylbenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCCCOC(c1c(C)oc(cc2)c1cc2NS(c(cc1)c(C)cc1F)(=O)=O)=O

InChI

InChI=1S/C21H22FNO5S/c1-4-5-10-27-21(24)20-14(3)28-18-8-7-16(12-17(18)20)23-29(25,26)19-9-6-15(22)11-13(19)2/h6-9,11-12,23H,4-5,10H2,1-3H3

InChI Key

DAXRFQMKLSUHJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06249801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-5.26

Polar Surface Area

69.883

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-12.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7202-2457 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 7202-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7202-2457?
Check Price and Availability of 7202-2457, 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 7202-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7202-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7202-2457
  • 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 7202-2457 available by request