S247-0028 Screening compound: 1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(2-thienyl)-1-ethanone

S247-0028 Screening compound: 1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(2-thienyl)-1-ethanone
S247-0028 Screening compound: 1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S247-0028
1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(2-thienyl)-1-ethanone

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

S247-0028

Molecular Formula

C16H23NO3S (C16 H23 NO3 S)

Compound Name

1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-(2-thienyl)-1-ethanone

IUPAC name

1-[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(thiophen-2-yl)ethan-1-one

SMILES

COCC(CN(C1)C(Cc2cccs2)=O)C11CCOCC1

InChI

InChI=1S/C16H23NO3S/c1-19-11-13-10-17(12-16(13)4-6-20-7-5-16)15(18)9-14-3-2-8-21-14/h2-3,8,13H,4-7,9-12H2,1H3/t13-/m0/s1

InChI Key

DQDGXAIGYAAUBE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD28995596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.611

Distribution Coefficient, logD

1.611

Water Solubility, LogSw

-2.11

Polar Surface Area

33.863

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S247-0028 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S247-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S247-0028?
Check Price and Availability of S247-0028, 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 S247-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S247-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S247-0028
  • 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 S247-0028 available by request