8015-1333 Screening compound: 4,4-dimethyl-3-(thiophen-2-yl)-2-oxaspiro[5.5]undecane-1,5-dione

8015-1333 Screening compound: 4,4-dimethyl-3-(thiophen-2-yl)-2-oxaspiro[5.5]undecane-1,5-dione
8015-1333 Screening compound: 4,4-dimethyl-3-(thiophen-2-yl)-2-oxaspiro[5.5]undecane-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1333
4,4-dimethyl-3-(thiophen-2-yl)-2-oxaspiro[5.5]undecane-1,5-dione

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

8015-1333

Molecular Formula

C16H20O3S (C16 H20 O3 S)

Compound Name

4,4-dimethyl-3-(thiophen-2-yl)-2-oxaspiro[5.5]undecane-1,5-dione

IUPAC name

44-dimethyl-3-(thiophen-2-yl)-2-oxaspiro[5.5]undecane-15-dione

SMILES

CC(C)(C(c1cccs1)OC(C12CCCCC2)=O)C1=O

InChI

InChI=1S/C16H20O3S/c1-15(2)12(11-7-6-10-20-11)19-14(18)16(13(15)17)8-4-3-5-9-16/h6-7,10,12H,3-5,8-9H2,1-2H3/t12-/m1/s1

InChI Key

IKCFXYAFHJDYLF-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03855771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-3.77

Polar Surface Area

35.764

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

8015-1333 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Structure:
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8015-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1333?
Check Price and Availability of 8015-1333, 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 8015-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1333
  • 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 8015-1333 available by request