8011-9137 Screening compound: 1-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-3,5-dione

8011-9137 Screening compound: 1-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-3,5-dione
8011-9137 Screening compound: 1-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9137
1-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-3,5-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

8011-9137

Molecular Formula

C20H26O5 (C20 H26 O5)

Compound Name

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

IUPAC name

1-(34-dimethoxyphenyl)-44-dimethyl-2-oxaspiro[5.5]undecane-35-dione

SMILES

CC(C)(C(C1(CCCCC1)C(c(cc1)cc(OC)c1OC)O1)=O)C1=O

InChI

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

InChI Key

DHRJYAMTGHFEID-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02232180

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

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.46

Polar Surface Area

50.006

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8011-9137 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8011-9137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9137?
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What is the minimum amount of 8011-9137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9137
  • 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 8011-9137 available by request