M594-0790 Screening compound: 5-chloro-N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-2-methoxybenzamide

M594-0790 Screening compound: 5-chloro-N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-2-methoxybenzamide
M594-0790 Screening compound: 5-chloro-N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M594-0790
5-chloro-N~1~-{[2-(4-fluorophenyl)-3-pyridyl]methyl}-2-methoxybenzamide

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

M594-0790

Molecular Formula

C20H16ClFN2O2 (C20 H16 ClFN2 O2)

Compound Name

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

IUPAC name

5-chloro-N-{[2-(4-fluorophenyl)pyridin-3-yl]methyl}-2-methoxybenzamide

SMILES

COc(ccc(Cl)c1)c1C(NCc1c(-c(cc2)ccc2F)nccc1)=O

InChI

InChI=1S/C20H16ClFN2O2/c1-26-18-9-6-15(21)11-17(18)20(25)24-12-14-3-2-10-23-19(14)13-4-7-16(22)8-5-13/h2-11H,12H2,1H3,(H,24,25)

InChI Key

PGRKKOQRDJNORQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.81

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

4.403

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.63

Polar Surface Area

41.829

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

M594-0790 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with M594-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M594-0790?
Check Price and Availability of M594-0790, 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 M594-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M594-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M594-0790
  • 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 M594-0790 available by request