8019-9138 Screening compound: 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline

8019-9138 Screening compound: 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline
8019-9138 Screening compound: 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9138
1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline

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

8019-9138

Molecular Formula

C20H21NO4 (C20 H21 NO4)

Compound Name

1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline

IUPAC name

1-[(34-dimethoxyphenyl)methyl]-67-dimethoxyisoquinoline

SMILES

COc(ccc(Cc1c(cc(c(OC)c2)OC)c2ccn1)c1)c1OC

InChI

InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3

InChI Key

XQYZDYMELSJDRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024138

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

339.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.13

Polar Surface Area

40.531

Acid Dissociation Constant (pKa)

26.99

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-9138 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-9138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9138?
Check Price and Availability of 8019-9138, 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 8019-9138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9138
  • 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 8019-9138 available by request