MCULE-5780221880
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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.
-
2
MCULE-7136744652
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5780221880.sdf |
SMILES | MCULE-5780221880.smiles |
Standard InChI | MCULE-5780221880.inchi |
InChIKey | MCULE-5780221880.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502858056 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-33238311 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-504780164 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 1 mg |
P-500236732 | Diverchim | Diverchim General Catalog | N/A | Main component | in stock |
P-502598575 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
P-621153158 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
P-424797680 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-33460564 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
P-2513688 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 103 mg |
P-886040083 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-502858040 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
P-25739403 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 937.035 |
logP | 8.1812 |
H-bond acceptors | 16 |
H-bond donors | 6 |
Rotatable bonds | 15 |
PSA | 240.88 |
RO5 violations | 4 |
RO3 violations | 6 |
Refractivity | 263.7382 |
Atoms | 128 |
Rings | 8 |
Heavy atoms | 68 |
Hydrogen atoms | 60 |
Heteroatoms | 16 |
N/O atoms | 16 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |