MCULE-9204788308
- 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 | 104 USD | 90 | 27 working days | Get Quote |
5 mg | 117 USD | 90 | 27 working days | Get Quote |
10 mg | 137 USD | 90 | 27 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.
Name | File |
---|---|
SDF | MCULE-9204788308.sdf |
SMILES | MCULE-9204788308.smiles |
Standard InChI | MCULE-9204788308.inchi |
InChIKey | MCULE-9204788308.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-25941740 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 100 mg |
P-25954519 | AnalytiCon Discovery | Natural screening compounds (85%+) | 85 | As is | 99 mg |
P-901444057 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-878211320 | Key Organics | Building Blocks | 95 | As is | 10 mg |
P-23836303 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-896087962 | Specs | Natural Products | 80 | As is | 7 mg |
P-896086909 | Specs | Natural Products | 80 | As is | 3 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 252.349 |
logP | 2.9847 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 57.53 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 72.2286 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 24 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |