G598-0540 Screening compound: 1-{2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetyl}piperidine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G598-0540
1-{2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetyl}piperidine-4-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
G598-0540
Molecular Formula
C24H24ClN7O3 (C24 H24 ClN7 O3)
Compound Name
1-{2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H,4H,5H-pyrazolo[3,4-d]pyridazin-5-yl]acetyl}piperidine-4-carboxamide
IUPAC name
1-{2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2H4H5H-pyrazolo[34-d]pyridazin-5-yl]acetyl}piperidine-4-carboxamide
SMILES
CC(c(c1c2-n3cccc3)nn2-c(cc2)ccc2Cl)=NN(CC(N(CC2)CCC2C(N)=O)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
493.95
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.868
Distribution Coefficient, logD
1.868
Water Solubility, LogSw
-2.93
Polar Surface Area
94.585
Acid Dissociation Constant (pKa)
14.92
Base Dissociation Constant (pKb)
0.88
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.20
G598-0540 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Antibacterial Compounds Library (13827 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Infections
- Immune system
- animal
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- GPCR
- Phosphatases
- Receptor's ligands
References: we are preparing a list of scientific research reports with G598-0540 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)