M594-1111 Screening compound: N-[(2-phenylpyridin-3-yl)methyl]-2-(thiophen-2-yl)acetamide

M594-1111 Screening compound: N-[(2-phenylpyridin-3-yl)methyl]-2-(thiophen-2-yl)acetamide
M594-1111 Screening compound: N-[(2-phenylpyridin-3-yl)methyl]-2-(thiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M594-1111
N-[(2-phenylpyridin-3-yl)methyl]-2-(thiophen-2-yl)acetamide

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

M594-1111

Molecular Formula

C18H16N2OS (C18 H16 N2 OS)

Compound Name

N-[(2-phenylpyridin-3-yl)methyl]-2-(thiophen-2-yl)acetamide

IUPAC name

N-[(2-phenylpyridin-3-yl)methyl]-2-(thiophen-2-yl)acetamide

SMILES

O=C(Cc1cccs1)NCc1c(-c2ccccc2)nccc1

InChI

InChI=1S/C18H16N2OS/c21-17(12-16-9-5-11-22-16)20-13-15-8-4-10-19-18(15)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,20,21)

InChI Key

RWQPEGNOHKDDCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.4

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

2.717

Distribution Coefficient, logD

2.706

Water Solubility, LogSw

-2.98

Polar Surface Area

35.003

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M594-1111 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M594-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M594-1111?
Check Price and Availability of M594-1111, 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 M594-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M594-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M594-1111
  • 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 M594-1111 available by request