S553-0983 Screening compound: 4-phenyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one

S553-0983 Screening compound: 4-phenyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
S553-0983 Screening compound: 4-phenyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0983
4-phenyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one

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

S553-0983

Molecular Formula

C13H16N4O (C13 H16 N4 O)

Compound Name

4-phenyl-3-(piperidin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

4-phenyl-3-(piperidin-4-yl)-45-dihydro-1H-124-triazol-5-one

SMILES

O=C(NN=C1C2CCNCC2)N1c1ccccc1

InChI

InChI=1S/C13H16N4O/c18-13-16-15-12(10-6-8-14-9-7-10)17(13)11-4-2-1-3-5-11/h1-5,10,14H,6-9H2,(H,16,18)

InChI Key

MPUUVRSPOUUDBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23576309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.157

Distribution Coefficient, logD

-4.374

Water Solubility, LogSw

-1.63

Polar Surface Area

52.288

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

12.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

S553-0983 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with S553-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0983?
Check Price and Availability of S553-0983, 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 S553-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0983
  • 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 S553-0983 available by request