MCULE-4590226402
- 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 | 19 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-4590226402.sdf |
SMILES | MCULE-4590226402.smiles |
Standard InChI | MCULE-4590226402.inchi |
InChIKey | MCULE-4590226402.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867644193 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875810316 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590381363 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19948254 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436457006 | Alinda | Building Blocks | 95 | As is | 11 g |
P-606928302 | AmBeed | In stock | N/A | As is | in stock |
P-596985549 | Angene | Building Blocks in stock | 97 | As is | 2 g |
P-864174832 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-590953149 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-893221081 | Biosynth | In Stock | 95 | As is | in stock |
P-608404940 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607677703 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-851245559 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861454789 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580758307 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-675218078 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-12493564 | InterBioScreen | Screening Compounds | 92 | As is | 167 mg |
P-852429530 | Matrix Scientific | All | N/A | As is | in stock |
P-13877761 | Pharmeks LLC | Synthetic compounds | 92 | As is | 167 mg |
P-23968807 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885536141 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873221116 | TimTec | Building Block Collection | 90 | As is | in stock |
P-23195335 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855231173 | Toronto Research | In stock | 90 | As is | in stock |
P-1830119 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 244 mg |
P-868492198 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 276.334 |
logP | 1.4819 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 94.98 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 81.3318 |
Atoms | 40 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 20 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |