S811-0094 Screening compound: 1-methanesulfonyl-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine

S811-0094 Screening compound: 1-methanesulfonyl-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine
S811-0094 Screening compound: 1-methanesulfonyl-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S811-0094
1-methanesulfonyl-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}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

S811-0094

Molecular Formula

C13H21N3O5S (C13 H21 N3 O5 S)

Compound Name

1-methanesulfonyl-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine

IUPAC name

1-methanesulfonyl-4-{[5-(oxolan-2-yl)-124-oxadiazol-3-yl]methoxy}piperidine

SMILES

CS(N(CC1)CCC1OCc1noc(C2OCCC2)n1)(=O)=O

InChI

InChI=1S/C13H21N3O5S/c1-22(17,18)16-6-4-10(5-7-16)20-9-12-14-13(21-15-12)11-3-2-8-19-11/h10-11H,2-9H2,1H3/t11-/m0/s1

InChI Key

IJCGKAFDUSDFFM-NSHDSACASA-N

MDL Number (MFCD)

MFCD31995119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

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

0.287

Distribution Coefficient, logD

0.287

Water Solubility, LogSw

-1.20

Polar Surface Area

79.535

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.61

S811-0094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S811-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S811-0094?
Check Price and Availability of S811-0094, 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 S811-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S811-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S811-0094
  • 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 S811-0094 available by request