MCULE-9149653773
- 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 | 31 USD | 98 | 16 working days | Get Quote |
5 mg | 31 USD | 98 | 16 working days | Get Quote |
10 mg | 31 USD | 98 | 16 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-1442325143
- Component type: Main
-
MCULE-5270880469
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9149653773.sdf |
SMILES | MCULE-9149653773.smiles |
Standard InChI | MCULE-9149653773.inchi |
InChIKey | MCULE-9149653773.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893626722 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-890851251 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-524443049 | Key Organics | Biochemicals | 97 | As a main component | 963 mg |
P-608274251 | Molnova | Stock | 98 | As a main component | in stock |
P-881187993 | Otava | In-House Stock Library | 90 | As a main component | 320 mg |
P-13814675 | Pharmeks LLC | Semi-natural compounds | 92 | As a main component | 300 mg |
P-675131286 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-885541490 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-617792871 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 66 mg |
P-893970223 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 332.456 |
logP | 2.8129 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 99.9858 |
Atoms | 54 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 30 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 5 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 5 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |