MCULE-4227272153-0
- 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 | 25 USD | 98 | 20 working days | Get Quote |
5 mg | 56 USD | 98 | 16 working days | Get Quote |
10 mg | 83 USD | 98 | 16 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-4227272153-0.sdf |
SMILES | MCULE-4227272153-0.smiles |
Standard InChI | MCULE-4227272153-0.inchi |
InChIKey | MCULE-4227272153-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867646174 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875814165 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590360855 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-610974973 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 34.22 g |
P-606940442 | AmBeed | In stock | N/A | As is | in stock |
P-489203309 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596970075 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
P-580195860 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864125726 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-860056787 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
P-868544849 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-580720300 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
P-851260442 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860799430 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861492288 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579479565 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-868078838 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-596561937 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-852531256 | Matrix Scientific | All | N/A | As is | in stock |
P-854715970 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474027971 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608277180 | Molnova | Stock | 98 | As is | in stock |
P-889878474 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579712523 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-869122575 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892290014 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888636916 | TargetMol | Screening Compounds - stock amount | 95 | As is | 48 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 568.665 |
logP | 6.019 |
H-bond acceptors | 10 |
H-bond donors | 1 |
Rotatable bonds | 10 |
PSA | 92.29 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 171.7987 |
Atoms | 78 |
Rings | 5 |
Heavy atoms | 42 |
Hydrogen atoms | 36 |
Heteroatoms | 10 |
N/O atoms | 10 |
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 |