G598-2488 Screening compound: 2-(4-fluorophenyl)-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

G598-2488 Screening compound: 2-(4-fluorophenyl)-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one
G598-2488 Screening compound: 2-(4-fluorophenyl)-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-2488
2-(4-fluorophenyl)-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

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

G598-2488

Molecular Formula

C24H25FN6O2 (C24 H25 FN6 O2)

Compound Name

2-(4-fluorophenyl)-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

IUPAC name

2-(4-fluorophenyl)-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-4-one

SMILES

CC(CC1)CCN1C(CN(C(c1c2-n3cccc3)=O)N=C(C)c1nn2-c(cc1)ccc1F)=O

InChI

InChI=1S/C24H25FN6O2/c1-16-9-13-28(14-10-16)20(32)15-30-24(33)21-22(17(2)26-30)27-31(19-7-5-18(25)6-8-19)23(21)29-11-3-4-12-29/h3-8,11-12,16H,9-10,13-15H2,1-2H3

InChI Key

TZFWNWWKJVOGFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

3.253

Water Solubility, LogSw

-3.39

Polar Surface Area

60.526

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G598-2488 in Drug Discovery

Included in Screening Libraries

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 G598-2488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-2488?
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What is the minimum amount of G598-2488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-2488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-2488
  • 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 G598-2488 available by request