S553-0498 Screening compound: 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine

S553-0498 Screening compound: 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
S553-0498 Screening compound: 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0498
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine

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

S553-0498

Molecular Formula

C9H8ClN3O (C9 H8 ClN3 O)

Compound Name

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine

IUPAC name

1-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methanamine

SMILES

NCc1nc(-c(cc2)ccc2Cl)no1

InChI

InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)9-12-8(5-11)14-13-9/h1-4H,5,11H2

InChI Key

USMFKHRKUSNPBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06738201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.687

Water Solubility, LogSw

-2.45

Polar Surface Area

53.242

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

S553-0498 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Eye
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Structure:
  • Pool
  • Fragments
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with S553-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0498?
Check Price and Availability of S553-0498, 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 S553-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0498
  • 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 S553-0498 available by request