MCULE-2991395947
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 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-7739626895
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2991395947.sdf |
SMILES | MCULE-2991395947.smiles |
Standard InChI | MCULE-2991395947.inchi |
InChIKey | MCULE-2991395947.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852151127 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-875864230 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-34907554 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
P-3804401 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 9 mg |
P-488551685 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
P-13772856 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
P-596595686 | Key Organics | Building Blocks | 90 | Main component | 100 mg |
P-852393082 | Matrix Scientific | All | N/A | Main component | in stock |
P-864022083 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-454372494 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
P-424833481 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-502385176 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-22529355 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 40 mg |
P-2325253 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 196 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 252.695 |
logP | 3.5659 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 68.26 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 67.5606 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |