S553-0231 Screening compound: 4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

S553-0231 Screening compound: 4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
S553-0231 Screening compound: 4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0231
4-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-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

S553-0231

Molecular Formula

C15H19N3O2 (C15 H19 N3 O2)

Compound Name

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

IUPAC name

4-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}piperidine

SMILES

COc(cc1)ccc1-c1noc(CC2CCNCC2)n1

InChI

InChI=1S/C15H19N3O2/c1-19-13-4-2-12(3-5-13)15-17-14(20-18-15)10-11-6-8-16-9-7-11/h2-5,11,16H,6-10H2,1H3

InChI Key

VVHGGGBLTSDZLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22386194

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

-1.084

Water Solubility, LogSw

-2.53

Polar Surface Area

51.006

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

S553-0231 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S553-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0231?
Check Price and Availability of S553-0231, 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 S553-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0231
  • 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 S553-0231 available by request