MCULE-7848941080
- 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 | 26 USD | 98 | 20 working days | Get Quote |
5 mg | 26 USD | 98 | 20 working days | Get Quote |
10 mg | 41 USD | 98 | 20 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-7848941080.sdf |
SMILES | MCULE-7848941080.smiles |
Standard InChI | MCULE-7848941080.inchi |
InChIKey | MCULE-7848941080.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867609805 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875769235 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-610956199 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 725 mg |
P-489127743 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596962194 | Angene | Building Blocks in stock | 98 | As is | 4 g |
P-580195320 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864119981 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580703821 | BLD pharm | In-stock building blocks | 98 | As is | 9 mg |
P-851299196 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860798967 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-580759978 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580420746 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-870652876 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-563425678 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-579616383 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-580505283 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852482752 | Matrix Scientific | All | N/A | As is | in stock |
P-584624804 | MedKoo | In stock compounds | 95 | As is | in stock |
P-12798442 | Otava | In-House Stock Library | 90 | As is | 8 mg |
P-500375149 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885540021 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-519906219 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-617402358 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888638509 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869124805 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-855001860 | Toronto Research | In stock | 90 | As is | in stock |
P-25490970 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 343 mg |
P-886923725 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 359.445 |
logP | 3.8551 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 96.31 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 97.7472 |
Atoms | 46 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 21 |
Heteroatoms | 7 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |