S427-0467 Screening compound: 2-{3-[(piperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl}pyridine

S427-0467 Screening compound: 2-{3-[(piperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl}pyridine
S427-0467 Screening compound: 2-{3-[(piperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0467
2-{3-[(piperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl}pyridine

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

S427-0467

Molecular Formula

C13H16N4O (C13 H16 N4 O)

Compound Name

2-{3-[(piperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl}pyridine

IUPAC name

2-{3-[(piperidin-3-yl)methyl]-124-oxadiazol-5-yl}pyridine

SMILES

C(C1CNCCC1)c1noc(-c2ncccc2)n1

InChI

InChI=1S/C13H16N4O/c1-2-7-15-11(5-1)13-16-12(17-18-13)8-10-4-3-6-14-9-10/h1-2,5,7,10,14H,3-4,6,8-9H2/t10-/m1/s1

InChI Key

SBNNHMGQUDULPB-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD19461808

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

244.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.111

Distribution Coefficient, logD

-1.659

Water Solubility, LogSw

-1.48

Polar Surface Area

53.766

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

S427-0467 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S427-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0467?
Check Price and Availability of S427-0467, 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 S427-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0467
  • 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 S427-0467 available by request