S846-0140 Screening compound: 3-({5-[1-(benzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)pyridine

S846-0140 Screening compound: 3-({5-[1-(benzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)pyridine
S846-0140 Screening compound: 3-({5-[1-(benzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S846-0140
3-({5-[1-(benzenesulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}methyl)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

S846-0140

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1ccccc1)(N(C1)CC1c1nc(Cc2cnccc2)no1)=O

InChI

InChI=1S/C17H16N4O3S/c22-25(23,15-6-2-1-3-7-15)21-11-14(12-21)17-19-16(20-24-17)9-13-5-4-8-18-10-13/h1-8,10,14H,9,11-12H2

InChI Key

MDDBNEMOWUBIOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-1.89

Polar Surface Area

74.061

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

S846-0140 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S846-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S846-0140?
Check Price and Availability of S846-0140, 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 S846-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S846-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S846-0140
  • 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 S846-0140 available by request