G598-0625 Screening compound: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

G598-0625 Screening compound: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
G598-0625 Screening compound: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G598-0625
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]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

G598-0625

Molecular Formula

C26H27ClN6O2 (C26 H27 ClN6 O2)

Compound Name

2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

IUPAC name

2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

SMILES

CC(c(c1c2-n3cccc3)nn2-c(cc2)ccc2Cl)=NN(CC(NCCC2=CCCCC2)=O)C1=O

InChI

InChI=1S/C26H27ClN6O2/c1-18-24-23(25(31-15-5-6-16-31)33(30-24)21-11-9-20(27)10-12-21)26(35)32(29-18)17-22(34)28-14-13-19-7-3-2-4-8-19/h5-7,9-12,15-16H,2-4,8,13-14,17H2,1H3,(H,28,34)

InChI Key

FOEDQGPUPRQESV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.82

Polar Surface Area

68.639

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G598-0625 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 G598-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G598-0625?
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What is the minimum amount of G598-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G598-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G598-0625
  • 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 G598-0625 available by request