M031-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

M031-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
M031-0037 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M031-0037
N-[2-(4-chlorophenyl)ethyl]-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

M031-0037

Molecular Formula

C18H17ClN4O (C18 H17 ClN4 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-[(1H-124-triazol-1-yl)methyl]benzamide

SMILES

O=C(c1ccc(Cn2ncnc2)cc1)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C18H17ClN4O/c19-17-7-3-14(4-8-17)9-10-21-18(24)16-5-1-15(2-6-16)11-23-13-20-12-22-23/h1-8,12-13H,9-11H2,(H,21,24)

InChI Key

PNGNWGYBDDKRNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10376255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-3.09

Polar Surface Area

49.470

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M031-0037 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M031-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M031-0037?
Check Price and Availability of M031-0037, 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 M031-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M031-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M031-0037
  • 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 M031-0037 available by request