5591-3243 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)pyridine-4-carboxamide

5591-3243 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)pyridine-4-carboxamide
5591-3243 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3243
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)pyridine-4-carboxamide

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

5591-3243

Molecular Formula

C24H20N2O6S (C24 H20 N2 O6 S)

Compound Name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)pyridine-4-carboxamide

IUPAC name

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(4-methoxybenzenesulfonyl)pyridine-4-carboxamide

SMILES

CC(c1c(C)oc(cc2)c1cc2N(C(c1ccncc1)=O)S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C24H20N2O6S/c1-15(27)23-16(2)32-22-9-4-18(14-21(22)23)26(24(28)17-10-12-25-13-11-17)33(29,30)20-7-5-19(31-3)6-8-20/h4-14H,1-3H3

InChI Key

NONLMVQMOKSELU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.26

Polar Surface Area

84.292

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5591-3243 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5591-3243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3243?
Check Price and Availability of 5591-3243, 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 5591-3243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3243
  • 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 5591-3243 available by request