8018-6049 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide

8018-6049 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide
8018-6049 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6049
N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide

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

8018-6049

Molecular Formula

C28H28N2O5 (C28 H28 N2 O5)

Compound Name

N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-phenylacetamide

IUPAC name

N-[(67-dimethoxyisoquinolin-1-yl)(34-dimethoxyphenyl)methyl]-2-phenylacetamide

SMILES

COc(ccc(C(c(c1c2)nccc1cc(OC)c2OC)NC(Cc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C28H28N2O5/c1-32-22-11-10-20(16-23(22)33-2)27(30-26(31)14-18-8-6-5-7-9-18)28-21-17-25(35-4)24(34-3)15-19(21)12-13-29-28/h5-13,15-17,27H,14H2,1-4H3,(H,30,31)/t27-/m0/s1

InChI Key

YUXVTHHBCAQHLV-MHZLTWQESA-N

MDL Number (MFCD)

MFCD07800783

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.884

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-3.97

Polar Surface Area

63.587

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8018-6049 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6049?
Check Price and Availability of 8018-6049, 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 8018-6049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6049
  • 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 8018-6049 available by request