S846-0089 Screening compound: 4-{5-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

S846-0089 Screening compound: 4-{5-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine
S846-0089 Screening compound: 4-{5-[1-(4-methoxybenzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S846-0089
4-{5-[1-(4-methoxybenzenesulfonyl)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

S846-0089

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(N(C1)CC1c1nc(-c2ccncc2)no1)(=O)=O

InChI

InChI=1S/C17H16N4O4S/c1-24-14-2-4-15(5-3-14)26(22,23)21-10-13(11-21)17-19-16(20-25-17)12-6-8-18-9-7-12/h2-9,13H,10-11H2,1H3

InChI Key

WFVVCTSTPYBLJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-2.72

Polar Surface Area

80.525

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

S846-0089 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S846-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S846-0089?
Check Price and Availability of S846-0089, 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 S846-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S846-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S846-0089
  • 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 S846-0089 available by request