S247-0078 Screening compound: 1,3-benzodioxol-5-yl[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

S247-0078 Screening compound: 1,3-benzodioxol-5-yl[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone
S247-0078 Screening compound: 1,3-benzodioxol-5-yl[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S247-0078
1,3-benzodioxol-5-yl[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

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

S247-0078

Molecular Formula

C18H23NO5 (C18 H23 NO5)

Compound Name

1,3-benzodioxol-5-yl[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]methanone

IUPAC name

2-(2H-13-benzodioxole-5-carbonyl)-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane

SMILES

COCC(CN(C1)C(c(cc2)cc3c2OCO3)=O)C11CCOCC1

InChI

InChI=1S/C18H23NO5/c1-21-10-14-9-19(11-18(14)4-6-22-7-5-18)17(20)13-2-3-15-16(8-13)24-12-23-15/h2-3,8,14H,4-7,9-12H2,1H3/t14-/m0/s1

InChI Key

GSSPCLQOZIRNGO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28995606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.588

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-2.09

Polar Surface Area

50.488

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S247-0078 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S247-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S247-0078?
Check Price and Availability of S247-0078, 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 S247-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S247-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S247-0078
  • 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 S247-0078 available by request