MCULE-2799536411-1
- 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 | 7 USD | 98 | 20 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 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-1482556327-0
- Component type: Main
-
2
MCULE-6124492894-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2799536411-1.sdf |
SMILES | MCULE-2799536411-1.smiles |
Standard InChI | MCULE-2799536411-1.inchi |
InChIKey | MCULE-2799536411-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875734567 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-881661622 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-588247049 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851809240 | AmBeed | On request | N/A | As is | by synthesis |
P-596987917 | Angene | Building Blocks in stock | 98 | As is | 1000 g |
P-864196019 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591110587 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-868579090 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862020396 | FluoroChem | General BB | N/A | As is | in stock |
P-870661015 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-505498281 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-596602856 | Key Organics | Building Blocks | 95 | As is | 15 g |
P-852461981 | Matrix Scientific | All | N/A | As is | in stock |
P-895182048 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-888172045 | Molnova | On demand | 98 | As is | by synthesis |
P-885550264 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869162935 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892298785 | TargetMol | In Stock BB | 95 | As is | 1.005 g |
P-888658392 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.005 g |
P-615409131 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-893107234 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-894613361 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851520657 | AmBeed | On request | N/A | Main component | by synthesis |
P-854882481 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-19546619 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-611558856 | Toronto Research | In stock | 90 | Main component | in stock |
P-1038669 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1 mg |
P-33292603 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
P-855053092 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 281.016 |
logP | 2.9883 |
H-bond acceptors | 3 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 101.19 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 53.2095 |
Atoms | 20 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |