M594-0429 Screening compound: 5-bromo-N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}furan-2-carboxamide

M594-0429 Screening compound: 5-bromo-N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}furan-2-carboxamide
M594-0429 Screening compound: 5-bromo-N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M594-0429
5-bromo-N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}furan-2-carboxamide

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

M594-0429

Molecular Formula

C18H15BrN2O3 (C18 H15 BrN2 O3)

Compound Name

5-bromo-N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}furan-2-carboxamide

IUPAC name

5-bromo-N-{[2-(4-methoxyphenyl)pyridin-3-yl]methyl}furan-2-carboxamide

SMILES

COc(cc1)ccc1-c1c(CNC(c(o2)ccc2Br)=O)cccn1

InChI

InChI=1S/C18H15BrN2O3/c1-23-14-6-4-12(5-7-14)17-13(3-2-10-20-17)11-21-18(22)15-8-9-16(19)24-15/h2-10H,11H2,1H3,(H,21,22)

InChI Key

JNTCTZUPEKDCAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.414

Water Solubility, LogSw

-3.36

Polar Surface Area

50.668

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M594-0429 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 M594-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M594-0429?
Check Price and Availability of M594-0429, 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 M594-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M594-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M594-0429
  • 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 M594-0429 available by request