S360-0250 Screening compound: 3-(1,3-benzodioxol-5-yl)-3'-propyl-5,5'-bi-1,2,4-oxadiazole

S360-0250 Screening compound: 3-(1,3-benzodioxol-5-yl)-3'-propyl-5,5'-bi-1,2,4-oxadiazole
S360-0250 Screening compound: 3-(1,3-benzodioxol-5-yl)-3'-propyl-5,5'-bi-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S360-0250
3-(1,3-benzodioxol-5-yl)-3'-propyl-5,5'-bi-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

S360-0250

Molecular Formula

C14H12N4O4 (C14 H12 N4 O4)

Compound Name

3-(1,3-benzodioxol-5-yl)-3'-propyl-5,5'-bi-1,2,4-oxadiazole

IUPAC name

n/a

SMILES

CCCc1noc(-c2nc(-c(cc3)cc4c3OCO4)no2)n1

InChI

InChI=1S/C14H12N4O4/c1-2-3-11-15-13(21-17-11)14-16-12(18-22-14)8-4-5-9-10(6-8)20-7-19-9/h4-6H,2-3,7H2,1H3

InChI Key

QBQLVOWPKOHWNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.65

Polar Surface Area

81.699

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

S360-0250 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S360-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S360-0250?
Check Price and Availability of S360-0250, 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 S360-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S360-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S360-0250
  • 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 S360-0250 available by request