MCULE-5604579662
- 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 | 31 USD | 95 | 14 working days | Get Quote |
5 mg | 53 USD | N/A | 9 working days | Get Quote |
10 mg | 69 USD | N/A | 9 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-5604579662.sdf |
SMILES | MCULE-5604579662.smiles |
Standard InChI | MCULE-5604579662.inchi |
InChIKey | MCULE-5604579662.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867646309 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875813267 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590361913 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893607662 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 760 mg |
P-606887273 | AmBeed | In stock | N/A | As is | in stock |
P-489243639 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-619162294 | Angene | Building Blocks in stock | 98 | As is | 685 mg |
P-872696853 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580726922 | BLD pharm | In-stock building blocks | 98 | As is | 343 mg |
P-893263845 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-5676182 | ChemDiv | Discovery Chemistry Library | 90 | As is | 20 mg |
P-851315006 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860798795 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861366933 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579482537 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-868079078 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-524166557 | Key Organics | Building Blocks | 95 | As is | 10 mg |
P-884896350 | Matrix Scientific | All | N/A | As is | in stock |
P-854713475 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584617011 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608280289 | Molnova | Stock | 98 | As is | in stock |
P-617404297 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-580051309 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892295074 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888656300 | TargetMol | Screening Compounds - stock amount | 95 | As is | 94 mg |
P-22635225 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 10 mg |
P-611434469 | Toronto Research | In stock | 90 | As is | in stock |
P-893944056 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 425.435 |
logP | 4.6037 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 106.52 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 122.5545 |
Atoms | 51 |
Rings | 5 |
Heavy atoms | 32 |
Hydrogen atoms | 19 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |