P939-2288 Screening compound: 4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine

P939-2288 Screening compound: 4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine
P939-2288 Screening compound: 4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P939-2288
4-(3-phenyl-4H-1,2,4-triazol-4-yl)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

P939-2288

Molecular Formula

C13H16N4 (C13 H16 N4)

Compound Name

4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine

IUPAC name

4-(3-phenyl-4H-124-triazol-4-yl)piperidine

SMILES

C(CNCC1)C1n1c(-c2ccccc2)nnc1

InChI

InChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-16-15-10-17(13)12-6-8-14-9-7-12/h1-5,10,12,14H,6-9H2

InChI Key

SRQWWKWYELILSI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

228.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.440

Distribution Coefficient, logD

-2.692

Water Solubility, LogSw

-1.08

Polar Surface Area

36.576

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

P939-2288 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P939-2288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P939-2288?
Check Price and Availability of P939-2288, 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 P939-2288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P939-2288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P939-2288
  • 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 P939-2288 available by request