S810-0227 Screening compound: 6-(3-fluorobenzenesulfonyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane

S810-0227 Screening compound: 6-(3-fluorobenzenesulfonyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane
S810-0227 Screening compound: 6-(3-fluorobenzenesulfonyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound S810-0227
6-(3-fluorobenzenesulfonyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane

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

S810-0227

Molecular Formula

C16H18FN3O3S (C16 H18 FN3 O3 S)

Compound Name

6-(3-fluorobenzenesulfonyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-6-azaspiro[2.5]octane

IUPAC name

6-(3-fluorobenzenesulfonyl)-1-(5-methyl-124-oxadiazol-3-yl)-6-azaspiro[2.5]octane

SMILES

Cc1nc(C(C2)C2(CC2)CCN2S(c2cc(F)ccc2)(=O)=O)no1

InChI

InChI=1S/C16H18FN3O3S/c1-11-18-15(19-23-11)14-10-16(14)5-7-20(8-6-16)24(21,22)13-4-2-3-12(17)9-13/h2-4,9,14H,5-8,10H2,1H3/t14-/m0/s1

InChI Key

SDUNWBUZRKWRHJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31994745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

2.511

Water Solubility, LogSw

-2.71

Polar Surface Area

63.106

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S810-0227 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S810-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S810-0227?
Check Price and Availability of S810-0227, 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 S810-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S810-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S810-0227
  • 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 S810-0227 available by request