G598-2751 Screening compound: 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[(pyridin-3-yl)methyl]acetamide

G598-2751 Screening compound: 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[(pyridin-3-yl)methyl]acetamide
G598-2751 Screening compound: 2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-2751
2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[(pyridin-3-yl)methyl]acetamide

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

G598-2751

Molecular Formula

C24H20FN7O2 (C24 H20 FN7 O2)

Compound Name

2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

CC(c(c1c2-n3cccc3)nn2-c2cccc(F)c2)=NN(CC(NCc2cnccc2)=O)C1=O

InChI

InChI=1S/C24H20FN7O2/c1-16-22-21(24(34)31(28-16)15-20(33)27-14-17-6-5-9-26-13-17)23(30-10-2-3-11-30)32(29-22)19-8-4-7-18(25)12-19/h2-13H,14-15H2,1H3,(H,27,33)

InChI Key

UMRGQIGRMSIPPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.364

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.37

Polar Surface Area

78.123

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G598-2751 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G598-2751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-2751?
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What is the minimum amount of G598-2751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-2751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-2751
  • 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 G598-2751 available by request