MCULE-4778073634
- 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 | 19 working days | Get Quote |
5 mg | 53 USD | 90 | 19 working days | Get Quote |
10 mg | 67 USD | 90 | 19 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.
-
MCULE-7864839599
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4778073634.sdf |
SMILES | MCULE-4778073634.smiles |
Standard InChI | MCULE-4778073634.inchi |
InChIKey | MCULE-4778073634.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893086839 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-874611500 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-615717056 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851409224 | AmBeed | On request | N/A | As is | by synthesis |
P-596473136 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590731096 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-889398747 | FluoroChem | General BB | N/A | As is | in stock |
P-502530612 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596593318 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-588250472 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852402329 | Matrix Scientific | All | N/A | As is | in stock |
P-854944949 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424909869 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885528018 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873237454 | TimTec | Building Block Collection | 90 | As is | in stock |
P-873212427 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-23151090 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611555008 | Toronto Research | In stock | 90 | As is | in stock |
P-35084547 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.421 g |
P-464680615 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.421 g |
P-860637469 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
P-893456119 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 277 mg |
P-601189808 | Life Chemicals | Building Blocks | 95 | As a main component | in stock |
P-601063797 | Life Chemicals | Screening Compounds | 90 | As a main component | in stock |
P-895365099 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 220.267 |
logP | 1.7721 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 55.56 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.2904 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 16 |
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 |