S835-4864 Screening compound: 3-[4-hydroxy-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile

S835-4864 Screening compound: 3-[4-hydroxy-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
S835-4864 Screening compound: 3-[4-hydroxy-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S835-4864
3-[4-hydroxy-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile

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

S835-4864

Molecular Formula

C19H24N2O4 (C19 H24 N2 O4)

Compound Name

3-[4-hydroxy-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile

IUPAC name

3-[4-hydroxy-4-(methoxymethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile

SMILES

COCC1(CC(CC2)(CCN2C(c2cc(C#N)ccc2)=O)OCC1)O

InChI

InChI=1S/C19H24N2O4/c1-24-14-18(23)7-10-25-19(13-18)5-8-21(9-6-19)17(22)16-4-2-3-15(11-16)12-20/h2-4,11,23H,5-10,13-14H2,1H3/t18-/m0/s1

InChI Key

TXDAVYSLVWPRFE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30459213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.696

Distribution Coefficient, logD

0.696

Water Solubility, LogSw

-1.42

Polar Surface Area

64.542

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S835-4864 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S835-4864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S835-4864?
Check Price and Availability of S835-4864, 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 S835-4864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S835-4864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S835-4864
  • 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 S835-4864 available by request