S942-0175 Screening compound: 4-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(propane-1-sulfonyl)piperidine

S942-0175 Screening compound: 4-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(propane-1-sulfonyl)piperidine
S942-0175 Screening compound: 4-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(propane-1-sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S942-0175
4-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(propane-1-sulfonyl)piperidine

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

S942-0175

Molecular Formula

C13H22FN3O4S (C13 H22 FN3 O4 S)

Compound Name

4-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(propane-1-sulfonyl)piperidine

IUPAC name

4-fluoro-4-[3-(2-methoxyethyl)-124-oxadiazol-5-yl]-1-(propane-1-sulfonyl)piperidine

SMILES

CCCS(N(CC1)CCC1(c1nc(CCOC)no1)F)(=O)=O

InChI

InChI=1S/C13H22FN3O4S/c1-3-10-22(18,19)17-7-5-13(14,6-8-17)12-15-11(16-21-12)4-9-20-2/h3-10H2,1-2H3

InChI Key

DVMAZNWCWKHVAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.308

Distribution Coefficient, logD

1.308

Water Solubility, LogSw

-1.34

Polar Surface Area

73.126

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.61

S942-0175 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S942-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S942-0175?
Check Price and Availability of S942-0175, 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 S942-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S942-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S942-0175
  • 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 S942-0175 available by request