M346-0077 Screening compound: 3-cyclopentyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide

M346-0077 Screening compound: 3-cyclopentyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide
M346-0077 Screening compound: 3-cyclopentyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M346-0077
3-cyclopentyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide

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

M346-0077

Molecular Formula

C17H22N4O (C17 H22 N4 O)

Compound Name

3-cyclopentyl-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide

IUPAC name

3-cyclopentyl-N-{4-[(1H-124-triazol-1-yl)methyl]phenyl}propanamide

SMILES

O=C(CCC1CCCC1)Nc1ccc(Cn2ncnc2)cc1

InChI

InChI=1S/C17H22N4O/c22-17(10-7-14-3-1-2-4-14)20-16-8-5-15(6-9-16)11-21-13-18-12-19-21/h5-6,8-9,12-14H,1-4,7,10-11H2,(H,20,22)

InChI Key

HHNSVSNZVFCQSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.39

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

2.341

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.72

Polar Surface Area

48.651

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

M346-0077 in Drug Discovery

Included in Screening Libraries

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

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M346-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M346-0077?
Check Price and Availability of M346-0077, 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 M346-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M346-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M346-0077
  • 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 M346-0077 available by request