MCULE-9470439723
- 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 | 33 USD | 90 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 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-9470439723.sdf |
SMILES | MCULE-9470439723.smiles |
Standard InChI | MCULE-9470439723.inchi |
InChIKey | MCULE-9470439723.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886643679 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889945126 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-853432637 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436473104 | Alinda | Building Blocks | 95 | As is | in stock |
P-851670313 | AmBeed | On request | N/A | As is | by synthesis |
P-596490253 | Asinex | General bb catalog | 90 | As is | unavailable |
P-596372757 | Asinex | General screening catalog | 90 | As is | unavailable |
P-889801442 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591026260 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454732461 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861528737 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580281984 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861946760 | FluoroChem | General BB | N/A | As is | in stock |
P-502510030 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596586621 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-588254521 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852469535 | Matrix Scientific | All | N/A | As is | in stock |
P-854896435 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19649197 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885517068 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502374113 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22526617 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 70 mg |
P-855221299 | Toronto Research | In stock | 90 | As is | in stock |
P-2228629 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 g |
Property | Value |
---|---|
Components | 1 |
Mass | 249.291 |
logP | 1.7524 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 93.31 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 64.6248 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
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 |