S811-0058 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine

S811-0058 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine
S811-0058 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S811-0058
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-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

S811-0058

Molecular Formula

C16H23N5O5S (C16 H23 N5 O5 S)

Compound Name

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methoxy}piperidine

IUPAC name

1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-{[5-(oxolan-2-yl)-124-oxadiazol-3-yl]methoxy}piperidine

SMILES

Cn1cnc(S(N(CC2)CCC2OCc2noc(C3OCCC3)n2)(=O)=O)c1

InChI

InChI=1S/C16H23N5O5S/c1-20-9-15(17-11-20)27(22,23)21-6-4-12(5-7-21)25-10-14-18-16(26-19-14)13-3-2-8-24-13/h9,11-13H,2-8,10H2,1H3/t13-/m0/s1

InChI Key

QJSWYRFKJWALJH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31994998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.088

Distribution Coefficient, logD

0.088

Water Solubility, LogSw

-1.30

Polar Surface Area

92.182

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S811-0058 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 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:
  • Nervous system
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 S811-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S811-0058?
Check Price and Availability of S811-0058, 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 S811-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S811-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S811-0058
  • 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 S811-0058 available by request