D349-4331 Screening compound: N-benzyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

D349-4331 Screening compound: N-benzyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
D349-4331 Screening compound: N-benzyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-4331
N-benzyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

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

D349-4331

Molecular Formula

C15H14N4O (C15 H14 N4 O)

Compound Name

N-benzyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

IUPAC name

N-benzyl-3-(3-methyl-124-oxadiazol-5-yl)pyridin-2-amine

SMILES

Cc1noc(-c2c(NCc3ccccc3)nccc2)n1

InChI

InChI=1S/C15H14N4O/c1-11-18-15(20-19-11)13-8-5-9-16-14(13)17-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,17)

InChI Key

HTSPICOUPSBYFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.89

Polar Surface Area

51.451

Acid Dissociation Constant (pKa)

18.97

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D349-4331 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

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

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Kinases
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D349-4331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-4331?
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What is the minimum amount of D349-4331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-4331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-4331
  • 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 D349-4331 available by request