S940-0187 Screening compound: 3-(5-{[1-(3-phenylpropyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

S940-0187 Screening compound: 3-(5-{[1-(3-phenylpropyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
S940-0187 Screening compound: 3-(5-{[1-(3-phenylpropyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S940-0187
3-(5-{[1-(3-phenylpropyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

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

S940-0187

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

3-(5-{[1-(3-phenylpropyl)azetidin-3-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine

IUPAC name

3-(5-{[1-(3-phenylpropyl)azetidin-3-yl]methyl}-124-oxadiazol-3-yl)pyridine

SMILES

C(Cc1ccccc1)CN1CC(Cc2nc(-c3cnccc3)no2)C1

InChI

InChI=1S/C20H22N4O/c1-2-6-16(7-3-1)8-5-11-24-14-17(15-24)12-19-22-20(23-25-19)18-9-4-10-21-13-18/h1-4,6-7,9-10,13,17H,5,8,11-12,14-15H2

InChI Key

BGVGXTAACJVUAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

0.540

Water Solubility, LogSw

-3.73

Polar Surface Area

44.737

Acid Dissociation Constant (pKa)

25.30

Base Dissociation Constant (pKb)

10.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S940-0187 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S940-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S940-0187?
Check Price and Availability of S940-0187, 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 S940-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S940-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S940-0187
  • 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 S940-0187 available by request