E859-1697 Screening compound: 1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E859-1697
1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-[(2-methylphenyl)methyl]piperidine-3-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
E859-1697
Molecular Formula
C28H32N6O (C28 H32 N6 O)
Compound Name
1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
IUPAC name
1-[34-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[34-d]pyridazin-7-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILES
Cc(n(-c1ccc(C)cc1)nc12)c2c(C)nnc1N(CCC1)CC1C(NCc1c(C)cccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
468.6
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.446
Distribution Coefficient, logD
4.428
Water Solubility, LogSw
-4.35
Polar Surface Area
64.617
Acid Dissociation Constant (pKa)
11.65
Base Dissociation Constant (pKb)
6.04
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
35.70
E859-1697 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
Antiviral Annotated Library (21441 compounds)
Human Proteases Annotated Library (2868 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
SmartTM Library (51161 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Agro
- PPI modulators
References: we are preparing a list of scientific research reports with E859-1697 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)