MCULE-3780891434-0
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-3780891434-0.sdf |
SMILES | MCULE-3780891434-0.smiles |
Standard InChI | MCULE-3780891434-0.inchi |
InChIKey | MCULE-3780891434-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867559554 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
P-875719633 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869361845 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893576408 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 40 mg |
P-34858705 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-899963134 | AmBeed | In stock | N/A | As is | in stock |
P-489108259 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865907082 | Angene | Building Blocks in stock | 98 | As is | 40 mg |
P-889587442 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-619598285 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-578048794 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-851261477 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-889036923 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889434253 | FluoroChem | General BB | 97 | As is | in stock |
P-873242073 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-580504704 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-854691601 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-500398695 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885548686 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-505616279 | Ramidus | In stock compounds | 95 | As is | in stock |
P-888447724 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611369555 | Toronto Research | In stock | 90 | As is | in stock |
P-855005770 | Toronto Research | In stock | 90 | As is | in stock |
P-855005771 | Toronto Research | In stock | 90 | As is | in stock |
P-886902450 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 170.162 |
logP | 0.1235 |
H-bond acceptors | 4 |
H-bond donors | 4 |
Rotatable bonds | 2 |
PSA | 80.92 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 42.5846 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |