S558-0490 Screening compound: 3-methyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole

S558-0490 Screening compound: 3-methyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole
S558-0490 Screening compound: 3-methyl-5-[2-(pyrrolidin-3-yloxy)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S558-0490
3-methyl-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

S558-0490

Molecular Formula

C13H15N3O2 (C13 H15 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(-c(cccc2)c2OC2CNCC2)n1

InChI

InChI=1S/C13H15N3O2/c1-9-15-13(18-16-9)11-4-2-3-5-12(11)17-10-6-7-14-8-10/h2-5,10,14H,6-8H2,1H3/t10-/m0/s1

InChI Key

VGQYLHHNZBFVGP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD28897692

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

245.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.314

Distribution Coefficient, logD

-0.748

Water Solubility, LogSw

-2.08

Polar Surface Area

50.327

Acid Dissociation Constant (pKa)

26.46

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S558-0490 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S558-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S558-0490?
Check Price and Availability of S558-0490, 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 S558-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S558-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S558-0490
  • 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 S558-0490 available by request