S687-0010 Screening compound: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane

S687-0010 Screening compound: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane
S687-0010 Screening compound: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound S687-0010
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane

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

S687-0010

Molecular Formula

C14H23N3O2 (C14 H23 N3 O2)

Compound Name

4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

4-[(3-ethyl-124-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane

SMILES

CCc1noc(CC2CC3(CCNCC3)OCC2)n1

InChI

InChI=1S/C14H23N3O2/c1-2-12-16-13(19-17-12)9-11-3-8-18-14(10-11)4-6-15-7-5-14/h11,15H,2-10H2,1H3/t11-/m0/s1

InChI Key

FKAFUFVIKBBJHT-NSHDSACASA-N

MDL Number (MFCD)

MFCD29638136

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

-1.326

Water Solubility, LogSw

-1.27

Polar Surface Area

51.327

Acid Dissociation Constant (pKa)

26.04

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

S687-0010 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S687-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S687-0010?
Check Price and Availability of S687-0010, 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 S687-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S687-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S687-0010
  • 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 S687-0010 available by request