3461-0990 Screening compound: N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)benzenesulfonamide

3461-0990 Screening compound: N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)benzenesulfonamide
3461-0990 Screening compound: N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0990
N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)benzenesulfonamide

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

3461-0990

Molecular Formula

C17H14ClNO4S (C17 H14 ClNO4 S)

Compound Name

N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)benzenesulfonamide

IUPAC name

N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)benzenesulfonamide

SMILES

CC(c(c1cc(NS(c2ccccc2)(=O)=O)c2)c(C)oc1c2Cl)=O

InChI

InChI=1S/C17H14ClNO4S/c1-10(20)16-11(2)23-17-14(16)8-12(9-15(17)18)19-24(21,22)13-6-4-3-5-7-13/h3-9,19H,1-2H3

InChI Key

XXIXMPCZMSICBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-4.10

Polar Surface Area

62.895

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

-13.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 3461-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0990?
Check Price and Availability of 3461-0990, 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 3461-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0990
  • 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 3461-0990 available by request