8020-5952 Screening compound: 2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinolin-9-ol

8020-5952 Screening compound: 2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinolin-9-ol
8020-5952 Screening compound: 2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinolin-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5952
2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinolin-9-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

8020-5952

Molecular Formula

C11H13NO3 (C11 H13 NO3)

Compound Name

2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinolin-9-ol

IUPAC name

2H3H6H7H8H9H-[14]dioxino[23-g]isoquinolin-9-ol

SMILES

OC(CNCc1c2)c1cc1c2OCCO1

InChI

InChI=1S/C11H13NO3/c13-9-6-12-5-7-3-10-11(4-8(7)9)15-2-1-14-10/h3-4,9,12-13H,1-2,5-6H2/t9-/m0/s1

InChI Key

WVJYDTDWGIPKIU-VIFPVBQESA-N

MDL Number (MFCD)

MFCD04219222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.628

Distribution Coefficient, logD

-2.908

Water Solubility, LogSw

-0.90

Polar Surface Area

43.421

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

8020-5952 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-5952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5952?
Check Price and Availability of 8020-5952, 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 8020-5952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5952
  • 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 8020-5952 available by request