MCULE-1485330958
- 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 | 15 USD | 95 | 14 working days | Get Quote |
5 mg | 15 USD | 95 | 14 working days | Get Quote |
10 mg | 15 USD | 95 | 14 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-1485330958.sdf |
SMILES | MCULE-1485330958.smiles |
Standard InChI | MCULE-1485330958.inchi |
InChIKey | MCULE-1485330958.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867642929 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875809439 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590418713 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893483585 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 586.81 g |
P-606909272 | AmBeed | In stock | N/A | As is | in stock |
P-596969384 | Angene | Building Blocks in stock | 98 | As is | 75 g |
P-895920407 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864120601 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-887967189 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862096848 | FluoroChem | General BB | 95 | As is | in stock |
P-890210726 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-579521866 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1 mg |
P-524174491 | Key Organics | Building Blocks | 95 | As is | unavailable |
P-588717262 | Key Organics | Screening Compounds and Fragments | 95 | As is | unavailable |
P-888159770 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852387088 | Matrix Scientific | All | N/A | As is | in stock |
P-854753222 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888840649 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-859988449 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611561337 | Toronto Research | In stock | 90 | As is | in stock |
P-615406185 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 133.575 |
logP | 0.3954 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 20.31 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 35.842 |
Atoms | 16 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 8 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |