S942-0434 Screening compound: 1-(benzenesulfonyl)-4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-fluoropiperidine

S942-0434 Screening compound: 1-(benzenesulfonyl)-4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-fluoropiperidine
S942-0434 Screening compound: 1-(benzenesulfonyl)-4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-fluoropiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S942-0434
1-(benzenesulfonyl)-4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-fluoropiperidine

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

S942-0434

Molecular Formula

C20H20FN3O3S (C20 H20 FN3 O3 S)

Compound Name

1-(benzenesulfonyl)-4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-fluoropiperidine

IUPAC name

1-(benzenesulfonyl)-4-(3-benzyl-124-oxadiazol-5-yl)-4-fluoropiperidine

SMILES

O=S(c1ccccc1)(N(CC1)CCC1(c1nc(Cc2ccccc2)no1)F)=O

InChI

InChI=1S/C20H20FN3O3S/c21-20(19-22-18(23-27-19)15-16-7-3-1-4-8-16)11-13-24(14-12-20)28(25,26)17-9-5-2-6-10-17/h1-10H,11-15H2

InChI Key

MIGNWQWCPXQAQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.15

Polar Surface Area

64.346

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S942-0434 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 S942-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S942-0434?
Check Price and Availability of S942-0434, 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 S942-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S942-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S942-0434
  • 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 S942-0434 available by request