8019-8847 Screening compound: phenyl N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]carbamate

8019-8847 Screening compound: phenyl N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]carbamate
8019-8847 Screening compound: phenyl N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8847
phenyl N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]carbamate

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

8019-8847

Molecular Formula

C27H26N2O6 (C27 H26 N2 O6)

Compound Name

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

IUPAC name

phenyl N-[(67-dimethoxyisoquinolin-1-yl)(34-dimethoxyphenyl)methyl]carbamate

SMILES

COc(ccc(C(c(c1c2)nccc1cc(OC)c2OC)NC(Oc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C27H26N2O6/c1-31-21-11-10-18(15-22(21)32-2)25(29-27(30)35-19-8-6-5-7-9-19)26-20-16-24(34-4)23(33-3)14-17(20)12-13-28-26/h5-16,25H,1-4H3,(H,29,30)/t25-/m0/s1

InChI Key

ALHQATUQLGSLAX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD12034018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

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

4.702

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.58

Polar Surface Area

71.777

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

8019-8847 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-8847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8847?
Check Price and Availability of 8019-8847, 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 8019-8847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8847
  • 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 8019-8847 available by request