MCULE-9991360806-0
- 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 | 27 USD | 98 | 8 working days | Get Quote |
5 mg | 27 USD | 98 | 8 working days | Get Quote |
10 mg | 27 USD | 98 | 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.
-
1
MCULE-3839722730-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9991360806-0.sdf |
SMILES | MCULE-9991360806-0.smiles |
Standard InChI | MCULE-9991360806-0.inchi |
InChIKey | MCULE-9991360806-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893606243 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 300 mg |
P-611165498 | BLD pharm | Non-stock building blocks | 99 | Main component | by synthesis |
P-895200029 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-610961141 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 1.638 g |
P-895915897 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
P-580698144 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 1.5 g |
P-505573414 | Bosche Scientific | Bosche Products | 98 | Main component as a main component | in stock |
P-851278210 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
P-868593264 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
P-896627364 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
P-854716025 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
P-474022444 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
P-608272184 | Molnova | Stock | 98 | Main component as a main component | in stock |
P-579710476 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 380.347 |
logP | 5.8443 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 12.47 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 111.991 |
Atoms | 52 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 27 |
Heteroatoms | 4 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |