8019-8213 Screening compound: 4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol

8019-8213 Screening compound: 4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
8019-8213 Screening compound: 4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8213
4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol

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

8019-8213

Molecular Formula

C12H15NO4 (C12 H15 NO4)

Compound Name

4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol

IUPAC name

4-methoxy-6-methyl-2H5H6H7H8H-[13]dioxolo[45-g]isoquinolin-5-ol

SMILES

CN(CCc1c2c(OC)c3OCOc3c1)C2O

InChI

InChI=1S/C12H15NO4/c1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14/h5,12,14H,3-4,6H2,1-2H3/t12-/m0/s1

InChI Key

PAPMYQLKLNRZIR-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00190616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.807

Distribution Coefficient, logD

-0.268

Water Solubility, LogSw

-0.96

Polar Surface Area

44.285

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8019-8213 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-8213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8213?
Check Price and Availability of 8019-8213, 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 8019-8213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8213
  • 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 8019-8213 available by request