S553-1023 Screening compound: {[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)amine

S553-1023 Screening compound: {[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)amine
S553-1023 Screening compound: {[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-1023
{[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)amine

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

S553-1023

Molecular Formula

C11H12FN3O2 (C11 H12 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CNCc1nc(-c(cc2)cc(F)c2OC)no1

InChI

InChI=1S/C11H12FN3O2/c1-13-6-10-14-11(15-17-10)7-3-4-9(16-2)8(12)5-7/h3-5,13H,6H2,1-2H3

InChI Key

NRXQRJYCWIWTBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16875136

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.23

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

1.829

Distribution Coefficient, logD

1.770

Water Solubility, LogSw

-2.07

Polar Surface Area

51.186

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

S553-1023 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S553-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-1023?
Check Price and Availability of S553-1023, 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 S553-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-1023
  • 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 S553-1023 available by request