MCULE-8559141289
- 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 | 12 USD | 98 | 16 working days | Get Quote |
5 mg | 27 USD | 98 | 16 working days | Get Quote |
10 mg | 52 USD | N/A | 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.
-
MCULE-9473393874
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8559141289.sdf |
SMILES | MCULE-8559141289.smiles |
Standard InChI | MCULE-8559141289.inchi |
InChIKey | MCULE-8559141289.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867566980 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-590360161 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606853519 | AmBeed | In stock | N/A | As is | in stock |
P-580193273 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-605394364 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864108612 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868543766 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-860798579 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-580452517 | CliniSciences S.A.S | All products | 98 | As is | in stock |
P-862073269 | FluoroChem | General BB | N/A | As is | in stock |
P-500411218 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-596870269 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579711259 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-888644549 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869135927 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611509552 | Toronto Research | In stock | 90 | As is | in stock |
P-886967764 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-480841138 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
P-869420527 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-868544022 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
P-888640789 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-888643498 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869127868 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-869133345 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-855027341 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 391.505 |
logP | 4.2625 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 10 |
PSA | 62.3 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 119.8122 |
Atoms | 58 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 29 |
Heteroatoms | 5 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |