S726-0022 Screening compound: 2-{9-cyclohexanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-ol

S726-0022 Screening compound: 2-{9-cyclohexanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-ol
S726-0022 Screening compound: 2-{9-cyclohexanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S726-0022
2-{9-cyclohexanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-ol

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

S726-0022

Molecular Formula

C18H31NO3 (C18 H31 NO3)

Compound Name

2-{9-cyclohexanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-ol

IUPAC name

2-{9-cyclohexanecarbonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl}ethan-1-ol

SMILES

OCCC1CC(CC2)(CCN2C(C2CCCCC2)=O)OCC1

InChI

InChI=1S/C18H31NO3/c20-12-6-15-7-13-22-18(14-15)8-10-19(11-9-18)17(21)16-4-2-1-3-5-16/h15-16,20H,1-14H2/t15-/m1/s1

InChI Key

AUTKHACGRQHFMY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32227074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-2.05

Polar Surface Area

40.336

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

94.44

S726-0022 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 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
  • 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 S726-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S726-0022?
Check Price and Availability of S726-0022, 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 S726-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S726-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S726-0022
  • 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 S726-0022 available by request