MCULE-9859384324
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 45 USD | 90 | 21 working days | Get Quote |
5 mg | 65 USD | 98 | 17 working days | Get Quote |
10 mg | 65 USD | 98 | 17 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-6538021261
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9859384324.sdf |
SMILES | MCULE-9859384324.smiles |
Standard InChI | MCULE-9859384324.inchi |
InChIKey | MCULE-9859384324.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-500418178 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
P-890852860 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-881193886 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-23969973 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885530689 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-890851988 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-596563066 | Key Organics | Building Blocks | 97 | As a main component | 100 mg |
P-881189441 | Otava | In-House Stock Library | 90 | As a main component | 50 mg |
P-881190256 | Otava | In-House Stock Library | 90 | As a main component | 50 mg |
P-885540651 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-893907320 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 300.294 |
logP | -0.5045 |
H-bond acceptors | 9 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 130.84 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 68.4898 |
Atoms | 32 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 12 |
Heteroatoms | 10 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |