M594-0043 Screening compound: 2-fluoro-N-{[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}benzamide

M594-0043 Screening compound: 2-fluoro-N-{[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}benzamide
M594-0043 Screening compound: 2-fluoro-N-{[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M594-0043
2-fluoro-N-{[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}benzamide

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

M594-0043

Molecular Formula

C22H21FN2O2 (C22 H21 FN2 O2)

Compound Name

2-fluoro-N-{[2-(4-methoxyphenyl)-4,6-dimethylpyridin-3-yl]methyl}benzamide

IUPAC name

2-fluoro-N-{[2-(4-methoxyphenyl)-46-dimethylpyridin-3-yl]methyl}benzamide

SMILES

Cc1cc(C)nc(-c(cc2)ccc2OC)c1CNC(c(cccc1)c1F)=O

InChI

InChI=1S/C22H21FN2O2/c1-14-12-15(2)25-21(16-8-10-17(27-3)11-9-16)19(14)13-24-22(26)18-6-4-5-7-20(18)23/h4-12H,13H2,1-3H3,(H,24,26)

InChI Key

GEPMRXHBHRBZMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.45

Polar Surface Area

41.117

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M594-0043 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M594-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M594-0043?
Check Price and Availability of M594-0043, 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 M594-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M594-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M594-0043
  • 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 M594-0043 available by request