M031-0107 Screening compound: N-(3-methylbutyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

M031-0107 Screening compound: N-(3-methylbutyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
M031-0107 Screening compound: N-(3-methylbutyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M031-0107
N-(3-methylbutyl)-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

M031-0107

Molecular Formula

C15H20N4O (C15 H20 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c1ccc(Cn2ncnc2)cc1)=O

InChI

InChI=1S/C15H20N4O/c1-12(2)7-8-17-15(20)14-5-3-13(4-6-14)9-19-11-16-10-18-19/h3-6,10-12H,7-9H2,1-2H3,(H,17,20)

InChI Key

GKROORUWBZMYRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

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

1.558

Distribution Coefficient, logD

1.558

Water Solubility, LogSw

-2.07

Polar Surface Area

49.742

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M031-0107 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M031-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M031-0107?
Check Price and Availability of M031-0107, 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 M031-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M031-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M031-0107
  • 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 M031-0107 available by request