8019-3810 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]cyclohexanecarboxamide

8019-3810 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]cyclohexanecarboxamide
8019-3810 Screening compound: N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3810
N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]cyclohexanecarboxamide

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

8019-3810

Molecular Formula

C27H32N2O5 (C27 H32 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(c(c1c2)nccc1cc(OC)c2OC)NC(C1CCCCC1)=O)c1)c1OC

InChI

InChI=1S/C27H32N2O5/c1-31-21-11-10-19(15-22(21)32-2)25(29-27(30)17-8-6-5-7-9-17)26-20-16-24(34-4)23(33-3)14-18(20)12-13-28-26/h10-17,25H,5-9H2,1-4H3,(H,29,30)/t25-/m0/s1

InChI Key

BPGPVWHSLBSVQX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD09064629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.329

Distribution Coefficient, logD

4.329

Water Solubility, LogSw

-4.24

Polar Surface Area

63.993

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

8019-3810 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8019-3810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3810?
Check Price and Availability of 8019-3810, 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 8019-3810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3810
  • 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 8019-3810 available by request