MCULE-6674572289
- 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 | 187 USD | 95 | 14 working days | Get Quote |
5 mg | 187 USD | 95 | 14 working days | Get Quote |
10 mg | 325 USD | 95 | 14 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-8661425535
- Component type: Main
-
1
MCULE-5889111640
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6674572289.sdf |
SMILES | MCULE-6674572289.smiles |
Standard InChI | MCULE-6674572289.inchi |
InChIKey | MCULE-6674572289.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590949791 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-887186946 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-854712320 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-591022727 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
P-851297201 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-579625146 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
P-895182893 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
P-474024979 | MedKoo | In stock compounds | 95 | Main component | in stock |
P-888171013 | Molnova | On demand | 98 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 587.627 |
logP | 3.8381 |
H-bond acceptors | 10 |
H-bond donors | 3 |
Rotatable bonds | 10 |
PSA | 138.29 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 146.3493 |
Atoms | 81 |
Rings | 4 |
Heavy atoms | 41 |
Hydrogen atoms | 40 |
Heteroatoms | 13 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
Chiral centers | 4 |
R/S chiral centers | 4 |
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 |