MCULE-4121409660
- 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 | 15 USD | N/A | 14 working days | Get Quote |
5 mg | 28 USD | 98 | 20 working days | Get Quote |
10 mg | 44 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-4121409660.sdf |
SMILES | MCULE-4121409660.smiles |
Standard InChI | MCULE-4121409660.inchi |
InChIKey | MCULE-4121409660.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867616644 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875777931 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869321207 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610983888 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.55 g |
P-606847568 | AmBeed | In stock | N/A | As is | in stock |
P-596963839 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
P-872727696 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889559928 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-580726785 | BLD pharm | In-stock building blocks | 98 | As is | 67 mg |
P-851299476 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861285954 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-868567684 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-579480979 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-675214485 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-596583369 | Key Organics | Building Blocks | 97 | As is | 1 mg |
P-854719196 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474024287 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608271314 | Molnova | Stock | 98 | As is | in stock |
P-889882084 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888650009 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869149096 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 410.800 |
logP | 3.355 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 66.93 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 105.3747 |
Atoms | 45 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 17 |
Heteroatoms | 10 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |