MCULE-3491813328
- 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 | 39 USD | 95 | 11 working days | Get Quote |
5 mg | 78 USD | 98 | 16 working days | Get Quote |
10 mg | 127 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-3491813328.sdf |
SMILES | MCULE-3491813328.smiles |
Standard InChI | MCULE-3491813328.inchi |
InChIKey | MCULE-3491813328.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867616423 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875777718 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590362140 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505394581 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610974867 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 110 mg |
P-851575923 | AmBeed | On request | N/A | As is | by synthesis |
P-489244132 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596963786 | Angene | Building Blocks in stock | 98 | As is | 10 mg |
P-580192855 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864222710 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-890228294 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-851239382 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860800055 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861491949 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579479975 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-524166716 | Key Organics | Building Blocks | 95 | As is | 10 mg |
P-852502533 | Matrix Scientific | All | N/A | As is | in stock |
P-854719213 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474024347 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608270679 | Molnova | Stock | 98 | As is | in stock |
P-885543154 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888639224 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869125700 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-855051845 | Toronto Research | In stock | 90 | As is | in stock |
P-575302159 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 251.329 |
logP | 2.7712 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 102.87 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 70.3662 |
Atoms | 25 |
Rings | 3 |
Heavy atoms | 16 |
Hydrogen atoms | 9 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |