S558-0489 Screening compound: 3-cyclopropyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole

S558-0489 Screening compound: 3-cyclopropyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole
S558-0489 Screening compound: 3-cyclopropyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S558-0489
3-cyclopropyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole

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

S558-0489

Molecular Formula

C15H17N3O2 (C15 H17 N3 O2)

Compound Name

3-cyclopropyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole

IUPAC name

3-cyclopropyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-124-oxadiazole

SMILES

C(C1)C1c1noc(-c(cccc2)c2OC2CNCC2)n1

InChI

InChI=1S/C15H17N3O2/c1-2-4-13(19-11-7-8-16-9-11)12(3-1)15-17-14(18-20-15)10-5-6-10/h1-4,10-11,16H,5-9H2/t11-/m0/s1

InChI Key

JSSKWJPBUDUPLB-NSHDSACASA-N

MDL Number (MFCD)

MFCD28897691

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

271.32

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

2.382

Distribution Coefficient, logD

0.321

Water Solubility, LogSw

-2.86

Polar Surface Area

50.966

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

S558-0489 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S558-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S558-0489?
Check Price and Availability of S558-0489, 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 S558-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S558-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S558-0489
  • 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 S558-0489 available by request