8013-0835 Screening compound: 4-methyl-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

8013-0835 Screening compound: 4-methyl-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide
8013-0835 Screening compound: 4-methyl-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0835
4-methyl-N-[(pyridin-4-yl)methyl]benzene-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

8013-0835

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

4-methyl-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[(pyridin-4-yl)methyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCc1ccncc1)(=O)=O

InChI

InChI=1S/C13H14N2O2S/c1-11-2-4-13(5-3-11)18(16,17)15-10-12-6-8-14-9-7-12/h2-9,15H,10H2,1H3

InChI Key

XKDJGAPHTFVILP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01022160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.53

Polar Surface Area

51.425

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8013-0835 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8013-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0835?
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What is the minimum amount of 8013-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0835
  • 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 8013-0835 available by request