M031-0066 Screening compound: 1-(3-methoxyphenyl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine

M031-0066 Screening compound: 1-(3-methoxyphenyl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine
M031-0066 Screening compound: 1-(3-methoxyphenyl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M031-0066
1-(3-methoxyphenyl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine

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

M031-0066

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

1-(3-methoxyphenyl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine

IUPAC name

1-(3-methoxyphenyl)-4-{4-[(1H-124-triazol-1-yl)methyl]benzoyl}piperazine

SMILES

COc1cccc(N(CC2)CCN2C(c2ccc(Cn3ncnc3)cc2)=O)c1

InChI

InChI=1S/C21H23N5O2/c1-28-20-4-2-3-19(13-20)24-9-11-25(12-10-24)21(27)18-7-5-17(6-8-18)14-26-16-22-15-23-26/h2-8,13,15-16H,9-12,14H2,1H3

InChI Key

CATIVOXYNAOTSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.690

Water Solubility, LogSw

-2.04

Polar Surface Area

52.668

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M031-0066 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M031-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M031-0066?
Check Price and Availability of M031-0066, 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 M031-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M031-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M031-0066
  • 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 M031-0066 available by request