G780-0458 Screening compound: ethyl 1-[4-(pyridin-2-yl)piperazin-1-yl]isoquinoline-4-carboxylate

G780-0458 Screening compound: ethyl 1-[4-(pyridin-2-yl)piperazin-1-yl]isoquinoline-4-carboxylate
G780-0458 Screening compound: ethyl 1-[4-(pyridin-2-yl)piperazin-1-yl]isoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0458
ethyl 1-[4-(pyridin-2-yl)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

G780-0458

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(c1ccccc11)cnc1N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C21H22N4O2/c1-2-27-21(26)18-15-23-20(17-8-4-3-7-16(17)18)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h3-10,15H,2,11-14H2,1H3

InChI Key

JOLPTJOKQKOVOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.564

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.17

Polar Surface Area

45.015

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G780-0458 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with G780-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0458?
Check Price and Availability of G780-0458, 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 G780-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0458
  • 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 G780-0458 available by request