M031-0128 Screening compound: 1'-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}-1,4'-bipiperidine

M031-0128 Screening compound: 1'-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}-1,4'-bipiperidine
M031-0128 Screening compound: 1'-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M031-0128
1'-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}-1,4'-bipiperidine

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

M031-0128

Molecular Formula

C20H27N5O (C20 H27 N5 O)

Compound Name

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

IUPAC name

1'-{4-[(1H-124-triazol-1-yl)methyl]benzoyl}-14'-bipiperidine

SMILES

O=C(c1ccc(Cn2ncnc2)cc1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C20H27N5O/c26-20(18-6-4-17(5-7-18)14-25-16-21-15-22-25)24-12-8-19(9-13-24)23-10-2-1-3-11-23/h4-7,15-16,19H,1-3,8-14H2

InChI Key

GNSJEFLCXZOEEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.295

Distribution Coefficient, logD

-2.144

Water Solubility, LogSw

-1.73

Polar Surface Area

44.957

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

M031-0128 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M031-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M031-0128?
Check Price and Availability of M031-0128, 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 M031-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M031-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M031-0128
  • 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 M031-0128 available by request