7584-0018 Screening compound: 6-(1,3-benzodioxol-5-yl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

7584-0018 Screening compound: 6-(1,3-benzodioxol-5-yl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium
7584-0018 Screening compound: 6-(1,3-benzodioxol-5-yl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 7584-0018
6-(1,3-benzodioxol-5-yl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

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

7584-0018

Molecular Formula

C22H23O5 (C22 H23 O5)

Compound Name

6-(1,3-benzodioxol-5-yl)-4,8-diethoxy-1,3-dimethylcyclohepta[c]furanium

IUPAC name

6-(2H-13-benzodioxol-5-yl)-48-diethoxy-13-dimethyl-2lambda4-cyclohepta[c]furan-2-ylium

SMILES

CCOC(C=C(C=C1OCC)c(cc2)cc3c2OCO3)=C2C1=C(C)[O+]=C2C

InChI

InChI=1S/C22H23O5/c1-5-23-19-10-16(15-7-8-17-18(9-15)26-12-25-17)11-20(24-6-2)22-14(4)27-13(3)21(19)22/h7-11H,5-6,12H2,1-4H3/q+1

InChI Key

QHECRIFYSQPVPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02986026

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-5.29

Polar Surface Area

39.331

Acid Dissociation Constant (pKa)

28.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

7584-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7584-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7584-0018?
Check Price and Availability of 7584-0018, 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 7584-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7584-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7584-0018
  • 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 7584-0018 available by request