M594-0813 Screening compound: N-{[2-(4-fluorophenyl)pyridin-3-yl]methyl}-3-methylbutanamide

M594-0813 Screening compound: N-{[2-(4-fluorophenyl)pyridin-3-yl]methyl}-3-methylbutanamide
M594-0813 Screening compound: N-{[2-(4-fluorophenyl)pyridin-3-yl]methyl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M594-0813
N-{[2-(4-fluorophenyl)pyridin-3-yl]methyl}-3-methylbutanamide

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

M594-0813

Molecular Formula

C17H19FN2O (C17 H19 FN2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(NCc1cccnc1-c(cc1)ccc1F)=O

InChI

InChI=1S/C17H19FN2O/c1-12(2)10-16(21)20-11-14-4-3-9-19-17(14)13-5-7-15(18)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,20,21)

InChI Key

SIMCBAPEOZMNJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.189

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.20

Polar Surface Area

34.257

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

M594-0813 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M594-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M594-0813?
Check Price and Availability of M594-0813, 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 M594-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M594-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M594-0813
  • 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 M594-0813 available by request