S511-0686 Screening compound: 2-{9-methanesulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid

S511-0686 Screening compound: 2-{9-methanesulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid
S511-0686 Screening compound: 2-{9-methanesulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-0686
2-{9-methanesulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid

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

S511-0686

Molecular Formula

C12H21NO5S (C12 H21 NO5 S)

Compound Name

2-{9-methanesulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid

IUPAC name

2-{9-methanesulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid

SMILES

CS(N(CC1)CCC11OCCC(CC(O)=O)C1)(=O)=O

InChI

InChI=1S/C12H21NO5S/c1-19(16,17)13-5-3-12(4-6-13)9-10(2-7-18-12)8-11(14)15/h10H,2-9H2,1H3,(H,14,15)/t10-/m0/s1

InChI Key

JRYFATNVJVCHBT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD28897875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.273

Distribution Coefficient, logD

-2.525

Water Solubility, LogSw

-1.19

Polar Surface Area

66.699

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-6.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

91.67

S511-0686 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S511-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-0686?
Check Price and Availability of S511-0686, 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 S511-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-0686
  • 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 S511-0686 available by request