8011-5430 Screening compound: 3-(furan-2-yl)-8,9-dimethoxy-6H-spiro[[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane]

8011-5430 Screening compound: 3-(furan-2-yl)-8,9-dimethoxy-6H-spiro[[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane]
8011-5430 Screening compound: 3-(furan-2-yl)-8,9-dimethoxy-6H-spiro[[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5430
3-(furan-2-yl)-8,9-dimethoxy-6H-spiro[[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane]

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

8011-5430

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

3-(furan-2-yl)-8,9-dimethoxy-6H-spiro[[1,2,4]triazolo[3,4-a]isoquinoline-5,1'-cyclopentane]

IUPAC name

3-(furan-2-yl)-89-dimethoxy-6H-spiro[[124]triazolo[34-a]isoquinoline-51'-cyclopentane]

SMILES

COc(c(OC)c1)cc2c1-c1nnc(-c3ccco3)n1C1(CCCC1)C2

InChI

InChI=1S/C20H21N3O3/c1-24-16-10-13-12-20(7-3-4-8-20)23-18(14(13)11-17(16)25-2)21-22-19(23)15-6-5-9-26-15/h5-6,9-11H,3-4,7-8,12H2,1-2H3

InChI Key

RUXGKGLGTIFCHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02130632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.21

Polar Surface Area

48.588

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8011-5430 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-5430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5430?
Check Price and Availability of 8011-5430, 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 8011-5430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5430
  • 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 8011-5430 available by request