M596-0004 Screening compound: N-[4-({[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

M596-0004 Screening compound: N-[4-({[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide
M596-0004 Screening compound: N-[4-({[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M596-0004
N-[4-({[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

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

M596-0004

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

N-[4-({[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

IUPAC name

N-[4-({[2-(4-methoxyphenyl)-46-dimethylpyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(NCc1c(-c(cc2)ccc2OC)nc(C)cc1C)(=O)=O)=O

InChI

InChI=1S/C23H25N3O4S/c1-15-13-16(2)25-23(18-5-9-20(30-4)10-6-18)22(15)14-24-31(28,29)21-11-7-19(8-12-21)26-17(3)27/h5-13,24H,14H2,1-4H3,(H,26,27)

InChI Key

NPXBUYDSTZFQNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.91

Polar Surface Area

81.723

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M596-0004 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M596-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M596-0004?
Check Price and Availability of M596-0004, 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 M596-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M596-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M596-0004
  • 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 M596-0004 available by request