8011-2587 Screening compound: N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide

8011-2587 Screening compound: N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide
8011-2587 Screening compound: N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2587
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide

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

8011-2587

Molecular Formula

C27H25N3O7 (C27 H25 N3 O7)

Compound Name

N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide

IUPAC name

N-{2-[(67-dimethoxyisoquinolin-1-yl)methyl]-45-dimethoxyphenyl}-4-nitrobenzamide

SMILES

COc(c(OC)c1)cc(Cc(c2c3)nccc2cc(OC)c3OC)c1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C27H25N3O7/c1-34-23-12-17-9-10-28-22(20(17)14-25(23)36-3)11-18-13-24(35-2)26(37-4)15-21(18)29-27(31)16-5-7-19(8-6-16)30(32)33/h5-10,12-15H,11H2,1-4H3,(H,29,31)

InChI Key

KPAZWRDOQPLQOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.13

Polar Surface Area

96.305

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 8011-2587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2587?
Check Price and Availability of 8011-2587, 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 8011-2587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2587
  • 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 8011-2587 available by request