MCULE-8440040716-0
- 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 | 18 USD | 98 | 20 working days | Get Quote |
5 mg | 18 USD | 98 | 20 working days | Get Quote |
10 mg | 18 USD | 98 | 20 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-9663679268-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8440040716-0.sdf |
SMILES | MCULE-8440040716-0.smiles |
Standard InChI | MCULE-8440040716-0.inchi |
InChIKey | MCULE-8440040716-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851274552 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-590362592 | AK Scientific | Building Blocks | 98 | Main component | in stock |
P-436456649 | Alinda | Building Blocks | 95 | Main component | 4 g |
P-606886203 | AmBeed | In stock | N/A | Main component | in stock |
P-489177000 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-596938667 | Angene | Building Blocks in stock | 98 | Main component | 40.45 g |
P-589659986 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
P-864139302 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-580732562 | BLD pharm | In-stock building blocks | 98 | Main component | 2 g |
P-492255686 | ChemBridge | Building Block Library | 95 | Main component | in stock |
P-4150300 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 100 mg |
P-454705566 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
P-851309365 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-861491013 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-580405324 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-861982678 | FluoroChem | General BB | N/A | Main component | in stock |
P-505494806 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-454333224 | Key Organics | Screening Compounds and Fragments | 90 | Main component | unavailable |
P-852429317 | Matrix Scientific | All | N/A | Main component | in stock |
P-854751771 | MedChemExpress | In stock Building Blocks | 95 | Main component | in stock |
P-605223690 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-596781856 | Synthonix | In-stock Building Blocks | 98 | Main component | 40.95 g |
P-873220978 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-611438366 | Toronto Research | In stock | 90 | Main component | in stock |
P-596723644 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 145 mg |
P-615448631 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 194.659 |
logP | 3.1871 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 28.68 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 55.9547 |
Atoms | 24 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 11 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |