G780-0608 Screening compound: ethyl 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

G780-0608 Screening compound: ethyl 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
G780-0608 Screening compound: ethyl 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0608
ethyl 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

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

G780-0608

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

ethyl 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

IUPAC name

ethyl 1-[4-(24-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

SMILES

CCOC(c(c1ccccc11)cnc1N(CC1)CCN1c1c(C)cc(C)cc1)=O

InChI

InChI=1S/C24H27N3O2/c1-4-29-24(28)21-16-25-23(20-8-6-5-7-19(20)21)27-13-11-26(12-14-27)22-10-9-17(2)15-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3

InChI Key

DGNPUBVKDRUOGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.234

Distribution Coefficient, logD

6.234

Water Solubility, LogSw

-5.60

Polar Surface Area

36.203

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G780-0608 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G780-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0608?
Check Price and Availability of G780-0608, 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 G780-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0608
  • 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 G780-0608 available by request