S399-0804 Screening compound: 2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethan-1-amine

S399-0804 Screening compound: 2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethan-1-amine
S399-0804 Screening compound: 2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0804
2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethan-1-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

S399-0804

Molecular Formula

C10H11N3O (C10 H11 N3 O)

Compound Name

2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethan-1-amine

IUPAC name

2-(5-phenyl-124-oxadiazol-3-yl)ethan-1-amine

SMILES

NCCc1noc(-c2ccccc2)n1

InChI

InChI=1S/C10H11N3O/c11-7-6-9-12-10(14-13-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2

InChI Key

LJMZXFYUBAAYIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11584206

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

189.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.010

Distribution Coefficient, logD

-1.098

Water Solubility, LogSw

-1.50

Polar Surface Area

54.062

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

9.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S399-0804 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Fragments
  • Cyclic compounds
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S399-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0804?
Check Price and Availability of S399-0804, 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 S399-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0804
  • 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 S399-0804 available by request