G598-2782 Screening compound: 2-(3-fluorophenyl)-7-methyl-5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one

G598-2782 Screening compound: 2-(3-fluorophenyl)-7-methyl-5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one
G598-2782 Screening compound: 2-(3-fluorophenyl)-7-methyl-5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-2782
2-(3-fluorophenyl)-7-methyl-5-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

G598-2782

Molecular Formula

C22H21FN6O2 (C22 H21 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c(c1c2-n3cccc3)nn2-c2cccc(F)c2)=NN(CC(N2CCCC2)=O)C1=O

InChI

InChI=1S/C22H21FN6O2/c1-15-20-19(22(31)28(24-15)14-18(30)26-9-2-3-10-26)21(27-11-4-5-12-27)29(25-20)17-8-6-7-16(23)13-17/h4-8,11-13H,2-3,9-10,14H2,1H3

InChI Key

IDCMDYRDWBGPKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

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

2.745

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-2.88

Polar Surface Area

60.892

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G598-2782 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 G598-2782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-2782?
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What is the minimum amount of G598-2782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-2782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-2782
  • 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 G598-2782 available by request