S511-0684 Screening compound: 2-{9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid

S511-0684 Screening compound: 2-{9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid
S511-0684 Screening compound: 2-{9-acetyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S511-0684
2-{9-acetyl-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

S511-0684

Molecular Formula

C13H21NO4 (C13 H21 NO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H21NO4/c1-10(15)14-5-3-13(4-6-14)9-11(2-7-18-13)8-12(16)17/h11H,2-9H2,1H3,(H,16,17)/t11-/m1/s1

InChI Key

QPONRFNOAQFZJA-LLVKDONJSA-N

MDL Number (MFCD)

MFCD28897948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.271

Distribution Coefficient, logD

-2.526

Water Solubility, LogSw

-0.40

Polar Surface Area

52.612

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.62

S511-0684 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S511-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S511-0684?
Check Price and Availability of S511-0684, 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 S511-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S511-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S511-0684
  • 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 S511-0684 available by request