8004-9586 Screening compound: 5,5-dimethyl-5H,6H-[1,2,3,4]tetrazolo[5,1-a]isoquinoline

8004-9586 Screening compound: 5,5-dimethyl-5H,6H-[1,2,3,4]tetrazolo[5,1-a]isoquinoline
8004-9586 Screening compound: 5,5-dimethyl-5H,6H-[1,2,3,4]tetrazolo[5,1-a]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9586
5,5-dimethyl-5H,6H-[1,2,3,4]tetrazolo[5,1-a]isoquinoline

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

8004-9586

Molecular Formula

C11H12N4 (C11 H12 N4)

Compound Name

5,5-dimethyl-5H,6H-[1,2,3,4]tetrazolo[5,1-a]isoquinoline

IUPAC name

55-dimethyl-5H6H-[1234]tetrazolo[51-a]isoquinoline

SMILES

CC(C)(C1)n2nnnc2-c2c1cccc2

InChI

InChI=1S/C11H12N4/c1-11(2)7-8-5-3-4-6-9(8)10-12-13-14-15(10)11/h3-6H,7H2,1-2H3

InChI Key

FQPUINDENAEALQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00613643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.020

Water Solubility, LogSw

-2.28

Polar Surface Area

39.042

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8004-9586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-9586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9586?
Check Price and Availability of 8004-9586, 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 8004-9586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9586
  • 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 8004-9586 available by request