5591-2182 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-3-methylbenzene-1-sulfonamide

5591-2182 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-3-methylbenzene-1-sulfonamide
5591-2182 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-3-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2182
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-3-methylbenzene-1-sulfonamide

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

5591-2182

Molecular Formula

C18H16ClNO4S (C18 H16 ClNO4 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-3-methylbenzene-1-sulfonamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-chloro-3-methylbenzene-1-sulfonamide

SMILES

CC(c1c(C)oc(cc2)c1cc2NS(c(cc1)cc(C)c1Cl)(=O)=O)=O

InChI

InChI=1S/C18H16ClNO4S/c1-10-8-14(5-6-16(10)19)25(22,23)20-13-4-7-17-15(9-13)18(11(2)21)12(3)24-17/h4-9,20H,1-3H3

InChI Key

DYQGVQBERRVKIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02694564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.85

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

4.551

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-4.85

Polar Surface Area

62.662

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-12.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5591-2182 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 5591-2182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2182?
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What is the minimum amount of 5591-2182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2182
  • 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 5591-2182 available by request