M594-0438 Screening compound: N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}cyclobutanecarboxamide

M594-0438 Screening compound: N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}cyclobutanecarboxamide
M594-0438 Screening compound: N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M594-0438
N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}cyclobutanecarboxamide

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

M594-0438

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}cyclobutanecarboxamide

IUPAC name

N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}cyclobutanecarboxamide

SMILES

COc(cc1)ccc1-c1c(CNC(C2CCC2)=O)cccn1

InChI

InChI=1S/C18H20N2O2/c1-22-16-9-7-13(8-10-16)17-15(6-3-11-19-17)12-20-18(21)14-4-2-5-14/h3,6-11,14H,2,4-5,12H2,1H3,(H,20,21)

InChI Key

AVHGWPNQVZSMGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

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

2.051

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.37

Polar Surface Area

42.265

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M594-0438 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M594-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M594-0438?
Check Price and Availability of M594-0438, 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 M594-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M594-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M594-0438
  • 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 M594-0438 available by request