MCULE-6720016561
- 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 | 51 USD | 90 | 19 working days | Get Quote |
5 mg | 66 USD | 95 | 38 working days | Get Quote |
10 mg | 66 USD | 95 | 38 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.
-
1
MCULE-5311884795
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6720016561.sdf |
SMILES | MCULE-6720016561.smiles |
Standard InChI | MCULE-6720016561.inchi |
InChIKey | MCULE-6720016561.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-34795251 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-617744117 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 245 mg |
P-867493949 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-851849127 | AmBeed | On request | N/A | Main component | by synthesis |
P-596511523 | Asinex | General bb catalog | 90 | Main component | unavailable |
P-591153735 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-613292103 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
P-895631474 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-855248457 | Toronto Research | In stock | 90 | Main component | in stock |
P-867626451 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
P-612938835 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-851642941 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
P-892490527 | Asinex | General screening catalog | 90 | Main component as a main component | 1000 mg |
P-590983549 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
P-861377314 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
P-862059484 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
P-855948159 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
P-852380441 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
P-869024104 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
P-873216024 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
P-903637733 | TimTec | ActiMol 4 Week - On demand | 94 | Main component as a main component | by resynthesis (? - ? days) |
P-855229865 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-893679212 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 325.356 |
logP | 2.2825 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 105.09 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 84.3863 |
Atoms | 46 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 23 |
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 |