M596-0413 Screening compound: N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-1-benzenesulfonamide

M596-0413 Screening compound: N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-1-benzenesulfonamide
M596-0413 Screening compound: N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M596-0413
N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-1-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

M596-0413

Molecular Formula

C18H15FN2O2S (C18 H15 FN2 O2 S)

Compound Name

N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-1-benzenesulfonamide

IUPAC name

N-{[2-(4-fluorophenyl)pyridin-3-yl]methyl}benzenesulfonamide

SMILES

O=S(c1ccccc1)(NCc1c(-c(cc2)ccc2F)nccc1)=O

InChI

InChI=1S/C18H15FN2O2S/c19-16-10-8-14(9-11-16)18-15(5-4-12-20-18)13-21-24(22,23)17-6-2-1-3-7-17/h1-12,21H,13H2

InChI Key

ZVVHKAYONBVHIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.72

Polar Surface Area

51.543

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

M596-0413 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M596-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M596-0413?
Check Price and Availability of M596-0413, 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 M596-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M596-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M596-0413
  • 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 M596-0413 available by request