S247-0096 Screening compound: 4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile

S247-0096 Screening compound: 4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile
S247-0096 Screening compound: 4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S247-0096
4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-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

S247-0096

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile

IUPAC name

4-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]benzonitrile

SMILES

COCC(CN(C1)C(c(cc2)ccc2C#N)=O)C11CCOCC1

InChI

InChI=1S/C18H22N2O3/c1-22-12-16-11-20(13-18(16)6-8-23-9-7-18)17(21)15-4-2-14(10-19)3-5-15/h2-5,16H,6-9,11-13H2,1H3/t16-/m0/s1

InChI Key

KBLRWDOPPJYRHF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28996125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.404

Distribution Coefficient, logD

1.404

Water Solubility, LogSw

-1.90

Polar Surface Area

50.429

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

S247-0096 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Integrin Receptors Targeted library (1715 compounds)

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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S247-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S247-0096?
Check Price and Availability of S247-0096, 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 S247-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S247-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S247-0096
  • 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 S247-0096 available by request