S835-3756 Screening compound: 2-cyclopentyl-1-{4-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}ethan-1-one

S835-3756 Screening compound: 2-cyclopentyl-1-{4-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}ethan-1-one
S835-3756 Screening compound: 2-cyclopentyl-1-{4-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-3756
2-cyclopentyl-1-{4-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}ethan-1-one

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

S835-3756

Molecular Formula

C18H31NO3 (C18 H31 NO3)

Compound Name

2-cyclopentyl-1-{4-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}ethan-1-one

IUPAC name

2-cyclopentyl-1-{4-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl}ethan-1-one

SMILES

CCC1(CC(CC2)(CCN2C(CC2CCCC2)=O)OCC1)O

InChI

InChI=1S/C18H31NO3/c1-2-17(21)9-12-22-18(14-17)7-10-19(11-8-18)16(20)13-15-5-3-4-6-15/h15,21H,2-14H2,1H3

InChI Key

VONRKWIGPKKOTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460057

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

2.266

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-1.97

Polar Surface Area

39.092

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

94.44

S835-3756 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S835-3756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-3756?
Check Price and Availability of S835-3756, 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 S835-3756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-3756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-3756
  • 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 S835-3756 available by request