MCULE-1816851949
- 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 | 98 | 22 working days | Get Quote |
5 mg | 34 USD | 98 | 20 working days | Get Quote |
10 mg | 54 USD | 98 | 22 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-1816851949.sdf |
SMILES | MCULE-1816851949.smiles |
Standard InChI | MCULE-1816851949.inchi |
InChIKey | MCULE-1816851949.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867566036 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875725809 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590360044 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893520165 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 835 mg |
P-606945903 | AmBeed | In stock | N/A | As is | in stock |
P-489184204 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596947126 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
P-580195115 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889550466 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580721191 | BLD pharm | In-stock building blocks | 98 | As is | 100 mg |
P-851247336 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860798046 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861371569 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579479292 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-675216970 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-596581501 | Key Organics | Building Blocks | 97 | As is | 1 mg |
P-852522431 | Matrix Scientific | All | N/A | As is | in stock |
P-854714190 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584617253 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608274988 | Molnova | Stock | 98 | As is | in stock |
P-579710255 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-873283560 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-869161873 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892296734 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888657258 | TargetMol | Screening Compounds - stock amount | 95 | As is | 91 mg |
P-480840848 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 417.503 |
logP | 4.2917 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 78.43 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 125.7184 |
Atoms | 58 |
Rings | 5 |
Heavy atoms | 31 |
Hydrogen atoms | 27 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |