MCULE-2206400605
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 59 USD | 98 | 17 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-7703149050
- Component type: Main
-
1
MCULE-5932450224
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2206400605.sdf |
SMILES | MCULE-2206400605.smiles |
Standard InChI | MCULE-2206400605.inchi |
InChIKey | MCULE-2206400605.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892862067 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-892189954 | Angene | Building Blocks in stock | 85 | As is | 2 g |
P-893170115 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-861285907 | Chiralstar | Chiralstar Building Blocks | 95 | Main component | in stock |
P-870662608 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component | in stock |
P-870653775 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
P-596577958 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
P-608115052 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
P-885544635 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-893968921 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
P-893242228 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
P-870662808 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
P-870654301 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
P-855910214 | Key Organics | Building Blocks | 98 | Main component as a main component | 30.774 g |
P-893294318 | Key Organics | Screening Compounds and Fragments | 98 | Main component as a main component | 30.774 g |
P-885544638 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
P-873043877 | TimTec | ActiMol 1 Week - Stock | 90 | Main component as a main component | 3 mg |
P-617779017 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 3.713 g |
P-617729813 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component as a main component | 3.713 g |
Property | Value |
---|---|
Components | 2 |
Mass | 385.312 |
logP | -0.8436 |
H-bond acceptors | 12 |
H-bond donors | 4 |
Rotatable bonds | 4 |
PSA | 198.71 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 72.0518 |
Atoms | 37 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 13 |
Heteroatoms | 14 |
N/O atoms | 12 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |