M032-0006 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]benzamide

M032-0006 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]benzamide
M032-0006 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M032-0006
N-(3,4-dimethoxyphenyl)-3-[(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

M032-0006

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-3-[(1H-124-triazol-1-yl)methyl]benzamide

SMILES

COc(ccc(NC(c1cc(Cn2ncnc2)ccc1)=O)c1)c1OC

InChI

InChI=1S/C18H18N4O3/c1-24-16-7-6-15(9-17(16)25-2)21-18(23)14-5-3-4-13(8-14)10-22-12-19-11-20-22/h3-9,11-12H,10H2,1-2H3,(H,21,23)

InChI Key

ZYSMMKGJXKSMAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.415

Distribution Coefficient, logD

1.410

Water Solubility, LogSw

-1.99

Polar Surface Area

63.567

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M032-0006 in Drug Discovery

Included in Screening Libraries

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 M032-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M032-0006?
Check Price and Availability of M032-0006, 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 M032-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M032-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M032-0006
  • 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 M032-0006 available by request