M031-0176 Screening compound: N-[(5-methylfuran-2-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

M031-0176 Screening compound: N-[(5-methylfuran-2-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
M031-0176 Screening compound: N-[(5-methylfuran-2-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M031-0176
N-[(5-methylfuran-2-yl)methyl]-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

M031-0176

Molecular Formula

C16H16N4O2 (C16 H16 N4 O2)

Compound Name

N-[(5-methylfuran-2-yl)methyl]-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

IUPAC name

N-[(5-methylfuran-2-yl)methyl]-4-[(1H-124-triazol-1-yl)methyl]benzamide

SMILES

Cc1ccc(CNC(c2ccc(Cn3ncnc3)cc2)=O)o1

InChI

InChI=1S/C16H16N4O2/c1-12-2-7-15(22-12)8-18-16(21)14-5-3-13(4-6-14)9-20-11-17-10-19-20/h2-7,10-11H,8-9H2,1H3,(H,18,21)

InChI Key

WMNXGLVMOMZAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.03

Polar Surface Area

56.891

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

M031-0176 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M031-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M031-0176?
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What is the minimum amount of M031-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M031-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M031-0176
  • 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 M031-0176 available by request