8019-3800 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide

8019-3800 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
8019-3800 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3800
N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide

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

8019-3800

Molecular Formula

C28H28N2O6 (C28 H28 N2 O6)

Compound Name

N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide

IUPAC name

N-[(67-dimethoxyisoquinolin-1-yl)(34-dimethoxyphenyl)methyl]-3-methoxybenzamide

SMILES

COc1cccc(C(NC(c(cc2)cc(OC)c2OC)c(c2c3)nccc2cc(OC)c3OC)=O)c1

InChI

InChI=1S/C28H28N2O6/c1-32-20-8-6-7-19(13-20)28(31)30-26(18-9-10-22(33-2)23(15-18)34-3)27-21-16-25(36-5)24(35-4)14-17(21)11-12-29-27/h6-16,26H,1-5H3,(H,30,31)/t26-/m0/s1

InChI Key

QWPUXMSWGCADCY-SANMLTNESA-N

MDL Number (MFCD)

MFCD09064619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.32

Polar Surface Area

71.344

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8019-3800 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8019-3800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3800?
Check Price and Availability of 8019-3800, 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 8019-3800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3800
  • 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 8019-3800 available by request