S846-0006 Screening compound: 5-(azetidin-3-yl)-3-benzyl-1,2,4-oxadiazole

S846-0006 Screening compound: 5-(azetidin-3-yl)-3-benzyl-1,2,4-oxadiazole
S846-0006 Screening compound: 5-(azetidin-3-yl)-3-benzyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S846-0006
5-(azetidin-3-yl)-3-benzyl-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

S846-0006

Molecular Formula

C12H13N3O (C12 H13 N3 O)

Compound Name

5-(azetidin-3-yl)-3-benzyl-1,2,4-oxadiazole

IUPAC name

5-(azetidin-3-yl)-3-benzyl-124-oxadiazole

SMILES

C(c1noc(C2CNC2)n1)c1ccccc1

InChI

InChI=1S/C12H13N3O/c1-2-4-9(5-3-1)6-11-14-12(16-15-11)10-7-13-8-10/h1-5,10,13H,6-8H2

InChI Key

BZZLDQJGVRTDGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18459062

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

215.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

-2.197

Water Solubility, LogSw

-2.04

Polar Surface Area

44.981

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

11.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S846-0006 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S846-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S846-0006?
Check Price and Availability of S846-0006, 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 S846-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S846-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S846-0006
  • 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 S846-0006 available by request