M031-0129 Screening compound: 1-(pyridin-2-yl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine

M031-0129 Screening compound: 1-(pyridin-2-yl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine
M031-0129 Screening compound: 1-(pyridin-2-yl)-4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M031-0129
1-(pyridin-2-yl)-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

M031-0129

Molecular Formula

C19H20N6O (C19 H20 N6 O)

Compound Name

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

IUPAC name

1-(pyridin-2-yl)-4-{4-[(1H-124-triazol-1-yl)methyl]benzoyl}piperazine

SMILES

O=C(c1ccc(Cn2ncnc2)cc1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C19H20N6O/c26-19(17-6-4-16(5-7-17)13-25-15-20-14-22-25)24-11-9-23(10-12-24)18-3-1-2-8-21-18/h1-8,14-15H,9-13H2

InChI Key

ITELQUFPQBHBAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.250

Distribution Coefficient, logD

1.241

Water Solubility, LogSw

-1.61

Polar Surface Area

53.635

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M031-0129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M031-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M031-0129?
Check Price and Availability of M031-0129, 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 M031-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M031-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M031-0129
  • 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 M031-0129 available by request