G780-0035 Screening compound: methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate

G780-0035 Screening compound: methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate
G780-0035 Screening compound: methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0035
methyl 1-[4-(2-fluorophenyl)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

G780-0035

Molecular Formula

C21H20FN3O2 (C21 H20 FN3 O2)

Compound Name

methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate

IUPAC name

methyl 1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-4-carboxylate

SMILES

COC(c(c1ccccc11)cnc1N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C21H20FN3O2/c1-27-21(26)17-14-23-20(16-7-3-2-6-15(16)17)25-12-10-24(11-13-25)19-9-5-4-8-18(19)22/h2-9,14H,10-13H2,1H3

InChI Key

DPNOMISISRMBFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.22

Polar Surface Area

36.623

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G780-0035 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G780-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0035?
Check Price and Availability of G780-0035, 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 G780-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0035
  • 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 G780-0035 available by request