S846-0021 Screening compound: 4-{5-[1-(benzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

S846-0021 Screening compound: 4-{5-[1-(benzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine
S846-0021 Screening compound: 4-{5-[1-(benzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S846-0021
4-{5-[1-(benzenesulfonyl)azetidin-3-yl]-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

S846-0021

Molecular Formula

C16H14N4O3S (C16 H14 N4 O3 S)

Compound Name

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

IUPAC name

4-{5-[1-(benzenesulfonyl)azetidin-3-yl]-124-oxadiazol-3-yl}pyridine

SMILES

O=S(c1ccccc1)(N(C1)CC1c1nc(-c2ccncc2)no1)=O

InChI

InChI=1S/C16H14N4O3S/c21-24(22,14-4-2-1-3-5-14)20-10-13(11-20)16-18-15(19-23-16)12-6-8-17-9-7-12/h1-9,13H,10-11H2

InChI Key

XSDBCRNUWIZHOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.475

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-2.55

Polar Surface Area

72.981

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

S846-0021 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S846-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S846-0021?
Check Price and Availability of S846-0021, 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 S846-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S846-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S846-0021
  • 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 S846-0021 available by request