G209-0039 Screening compound: 4-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

G209-0039 Screening compound: 4-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
G209-0039 Screening compound: 4-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G209-0039
4-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

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

G209-0039

Molecular Formula

C25H24F3N7O (C25 H24 F3 N7 O)

Compound Name

4-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-{34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

Cc(n(-c1ccccc1)nc12)c2c(C)nnc1N(CC1)CCN1C(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C25H24F3N7O/c1-16-21-17(2)35(20-9-4-3-5-10-20)32-22(21)23(31-30-16)33-11-13-34(14-12-33)24(36)29-19-8-6-7-18(15-19)25(26,27)28/h3-10,15H,11-14H2,1-2H3,(H,29,36)

InChI Key

JNUUERSREZUXNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14986265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.52

Polar Surface Area

65.547

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G209-0039 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G209-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G209-0039?
Check Price and Availability of G209-0039, 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 G209-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G209-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G209-0039
  • 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 G209-0039 available by request