M031-0158 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

M031-0158 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
M031-0158 Screening compound: N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M031-0158
N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

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

M031-0158

Molecular Formula

C16H12ClFN4O (C16 H12 ClFN4 O)

Compound Name

N-(3-chloro-4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-4-[(1H-124-triazol-1-yl)methyl]benzamide

SMILES

O=C(c1ccc(Cn2ncnc2)cc1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C16H12ClFN4O/c17-14-7-13(5-6-15(14)18)21-16(23)12-3-1-11(2-4-12)8-22-10-19-9-20-22/h1-7,9-10H,8H2,(H,21,23)

InChI Key

MECPOBKCGQXIPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.596

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-3.59

Polar Surface Area

48.306

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

M031-0158 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M031-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M031-0158?
Check Price and Availability of M031-0158, 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 M031-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M031-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M031-0158
  • 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 M031-0158 available by request