3568-0108 Screening compound: 3-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione

3568-0108 Screening compound: 3-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione
3568-0108 Screening compound: 3-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3568-0108
3-(3,4-dimethoxyphenyl)-4,4-dimethyl-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

3568-0108

Molecular Formula

C20H26O5 (C20 H26 O5)

Compound Name

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

IUPAC name

3-(34-dimethoxyphenyl)-44-dimethyl-2-oxaspiro[5.5]undecane-15-dione

SMILES

CC(C)(C(c(cc1)cc(OC)c1OC)OC(C12CCCCC2)=O)C1=O

InChI

InChI=1S/C20H26O5/c1-19(2)16(13-8-9-14(23-3)15(12-13)24-4)25-18(22)20(17(19)21)10-6-5-7-11-20/h8-9,12,16H,5-7,10-11H2,1-4H3/t16-/m1/s1

InChI Key

KJUPAGCZUPBSBZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02185558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.95

Polar Surface Area

50.006

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

3568-0108 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3568-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3568-0108?
Check Price and Availability of 3568-0108, 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 3568-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3568-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3568-0108
  • 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 3568-0108 available by request