G780-0060 Screening compound: methyl 1-[(3,4-dimethoxyphenethyl)amino]-4-isoquinolinecarboxylate

G780-0060 Screening compound: methyl 1-[(3,4-dimethoxyphenethyl)amino]-4-isoquinolinecarboxylate
G780-0060 Screening compound: methyl 1-[(3,4-dimethoxyphenethyl)amino]-4-isoquinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0060
methyl 1-[(3,4-dimethoxyphenethyl)amino]-4-isoquinolinecarboxylate

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

G780-0060

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

methyl 1-[(3,4-dimethoxyphenethyl)amino]-4-isoquinolinecarboxylate

IUPAC name

n/a

SMILES

COC(c(c1ccccc11)cnc1NCCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C21H22N2O4/c1-25-18-9-8-14(12-19(18)26-2)10-11-22-20-16-7-5-4-6-15(16)17(13-23-20)21(24)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)

InChI Key

IWPSJFWQOMAQSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.34

Polar Surface Area

56.255

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G780-0060 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G780-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0060?
Check Price and Availability of G780-0060, 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 G780-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0060
  • 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 G780-0060 available by request