8019-5440 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyladamantan-1-yl)acetamide

8019-5440 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyladamantan-1-yl)acetamide
8019-5440 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyladamantan-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5440
N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyladamantan-1-yl)acetamide

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

8019-5440

Molecular Formula

C34H42N2O5 (C34 H42 N2 O5)

Compound Name

N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyladamantan-1-yl)acetamide

IUPAC name

N-[(67-dimethoxyisoquinolin-1-yl)(34-dimethoxyphenyl)methyl]-2-(35-dimethyladamantan-1-yl)acetamide

SMILES

CC1(CC(C2)C3)CC3(CC(NC(c(cc3)cc(OC)c3OC)c(c3c4)nccc3cc(OC)c4OC)=O)CC2(C)C1

InChI

InChI=1S/C34H42N2O5/c1-32-14-21-15-33(2,18-32)20-34(16-21,19-32)17-29(37)36-30(23-7-8-25(38-3)26(12-23)39-4)31-24-13-28(41-6)27(40-5)11-22(24)9-10-35-31/h7-13,21,30H,14-20H2,1-6H3,(H,36,37)

InChI Key

LRZFAWAOVFLRAT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.72

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

5.829

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-5.69

Polar Surface Area

63.621

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

8019-5440 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-5440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5440?
Check Price and Availability of 8019-5440, 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 8019-5440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5440
  • 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 8019-5440 available by request