MCULE-9517315258
- 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 | 106 USD | 90 | 8 working days | Get Quote |
5 mg | 211 USD | 90 | 8 working days | Get Quote |
10 mg | 328 USD | 90 | 8 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-9517315258.sdf |
SMILES | MCULE-9517315258.smiles |
Standard InChI | MCULE-9517315258.inchi |
InChIKey | MCULE-9517315258.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867488171 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-893591495 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5 mg |
P-452660549 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-878207620 | Key Organics | Building Blocks | 95 | As is | 5 mg |
P-900008913 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-892305207 | TargetMol | Natural Products | 95 | As is | in stock |
P-869165759 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888660456 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-33162341 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 73 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 353.410 |
logP | 4.0847 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 40.16 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 107.416 |
Atoms | 49 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 23 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |