3461-2881 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(naphthalene-2-sulfonyl)pyridine-4-carboxamide

3461-2881 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(naphthalene-2-sulfonyl)pyridine-4-carboxamide
3461-2881 Screening compound: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(naphthalene-2-sulfonyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2881
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(naphthalene-2-sulfonyl)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

3461-2881

Molecular Formula

C27H20N2O5S (C27 H20 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c1c(C)oc(cc2)c1cc2N(C(c1ccncc1)=O)S(c1cc2ccccc2cc1)(=O)=O)=O

InChI

InChI=1S/C27H20N2O5S/c1-17(30)26-18(2)34-25-10-8-22(16-24(25)26)29(27(31)20-11-13-28-14-12-20)35(32,33)23-9-7-19-5-3-4-6-21(19)15-23/h3-16H,1-2H3

InChI Key

QILOVIBAYQWGLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.41

Polar Surface Area

76.477

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

3461-2881 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3461-2881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2881?
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What is the minimum amount of 3461-2881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2881
  • 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 3461-2881 available by request