S517-0937 Screening compound: 4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine

S517-0937 Screening compound: 4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
S517-0937 Screening compound: 4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-0937
4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine

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

S517-0937

Molecular Formula

C15H20N4 (C15 H20 N4)

Compound Name

4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidine

IUPAC name

4-[(4-benzyl-4H-124-triazol-3-yl)methyl]piperidine

SMILES

C(C1CCNCC1)c1nncn1Cc1ccccc1

InChI

InChI=1S/C15H20N4/c1-2-4-14(5-3-1)11-19-12-17-18-15(19)10-13-6-8-16-9-7-13/h1-5,12-13,16H,6-11H2

InChI Key

MXJXRWDRHVCUTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897666

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

256.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.648

Distribution Coefficient, logD

-2.489

Water Solubility, LogSw

-1.21

Polar Surface Area

37.452

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

10.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

S517-0937 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S517-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-0937?
Check Price and Availability of S517-0937, 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 S517-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-0937
  • 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 S517-0937 available by request