S248-2978 Screening compound: 5-(4-methoxyphenyl)-3-[(pyrrolidin-3-yl)methyl]-1,2,4-oxadiazole

S248-2978 Screening compound: 5-(4-methoxyphenyl)-3-[(pyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
S248-2978 Screening compound: 5-(4-methoxyphenyl)-3-[(pyrrolidin-3-yl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S248-2978
5-(4-methoxyphenyl)-3-[(pyrrolidin-3-yl)methyl]-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

S248-2978

Molecular Formula

C14H17N3O2 (C14 H17 N3 O2)

Compound Name

5-(4-methoxyphenyl)-3-[(pyrrolidin-3-yl)methyl]-1,2,4-oxadiazole

IUPAC name

5-(4-methoxyphenyl)-3-[(pyrrolidin-3-yl)methyl]-124-oxadiazole

SMILES

COc(cc1)ccc1-c1nc(CC2CNCC2)no1

InChI

InChI=1S/C14H17N3O2/c1-18-12-4-2-11(3-5-12)14-16-13(17-19-14)8-10-6-7-15-9-10/h2-5,10,15H,6-9H2,1H3/t10-/m1/s1

InChI Key

FIOXHVQTSJTPBX-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD28897644

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

259.31

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

2.279

Distribution Coefficient, logD

-1.515

Water Solubility, LogSw

-2.57

Polar Surface Area

52.628

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

11.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S248-2978 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S248-2978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S248-2978?
Check Price and Availability of S248-2978, 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 S248-2978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S248-2978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S248-2978
  • 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 S248-2978 available by request