4456-3047 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-N-(4-ethylbenzenesulfonyl)benzamide

4456-3047 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-N-(4-ethylbenzenesulfonyl)benzamide
4456-3047 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-N-(4-ethylbenzenesulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3047
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-N-(4-ethylbenzenesulfonyl)benzamide

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

4456-3047

Molecular Formula

C26H22ClNO5S (C26 H22 ClNO5 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-N-(4-ethylbenzenesulfonyl)benzamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-N-(4-ethylbenzenesulfonyl)benzamide

SMILES

CCc(cc1)ccc1S(N(C(c(cc1)ccc1Cl)=O)c(cc1)cc2c1oc(C)c2C(C)=O)(=O)=O

InChI

InChI=1S/C26H22ClNO5S/c1-4-18-5-12-22(13-6-18)34(31,32)28(26(30)19-7-9-20(27)10-8-19)21-11-14-24-23(15-21)25(16(2)29)17(3)33-24/h5-15H,4H2,1-3H3

InChI Key

ZDSHZQWEPNGPAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

5.903

Water Solubility, LogSw

-6.24

Polar Surface Area

67.320

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

-17.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 4456-3047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3047?
Check Price and Availability of 4456-3047, 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 4456-3047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3047
  • 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 4456-3047 available by request