S939-0168 Screening compound: 3-[(benzyloxy)methyl]-2-methanesulfonyl-2-azaspiro[4.5]decane

S939-0168 Screening compound: 3-[(benzyloxy)methyl]-2-methanesulfonyl-2-azaspiro[4.5]decane
S939-0168 Screening compound: 3-[(benzyloxy)methyl]-2-methanesulfonyl-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound S939-0168
3-[(benzyloxy)methyl]-2-methanesulfonyl-2-azaspiro[4.5]decane

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

S939-0168

Molecular Formula

C18H27NO3S (C18 H27 NO3 S)

Compound Name

3-[(benzyloxy)methyl]-2-methanesulfonyl-2-azaspiro[4.5]decane

IUPAC name

3-[(benzyloxy)methyl]-2-methanesulfonyl-2-azaspiro[4.5]decane

SMILES

CS(N(C1)C(COCc2ccccc2)CC11CCCCC1)(=O)=O

InChI

InChI=1S/C18H27NO3S/c1-23(20,21)19-15-18(10-6-3-7-11-18)12-17(19)14-22-13-16-8-4-2-5-9-16/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3/t17-/m1/s1

InChI Key

ABFKWNHVFDQOAL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31994644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-2.85

Polar Surface Area

40.519

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

-6.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S939-0168 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S939-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S939-0168?
Check Price and Availability of S939-0168, 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 S939-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S939-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S939-0168
  • 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 S939-0168 available by request