MCULE-8380155904
- 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 | 20 USD | 95 | 14 working days | Get Quote |
5 mg | 20 USD | 95 | 14 working days | Get Quote |
10 mg | 20 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-8682269209
- Component type: Main
-
1
MCULE-3643444072
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8380155904.sdf |
SMILES | MCULE-8380155904.smiles |
Standard InChI | MCULE-8380155904.inchi |
InChIKey | MCULE-8380155904.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852551062 | Matrix Scientific | All | N/A | As is | in stock |
P-893527977 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 5.65 g |
P-896632178 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-861410101 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-861973027 | FluoroChem | General BB | 97 | Main component | in stock |
P-854808422 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-893527978 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 22.072 g |
P-895917841 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
P-611005073 | BLD pharm | In-stock building blocks | 95 | Main component as a main component | unavailable |
P-896632194 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
P-861416144 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
P-861973028 | FluoroChem | General BB | 97 | Main component as a main component | in stock |
P-862110306 | FluoroChem | General BB | 99 | Main component as a main component | in stock |
P-852457749 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
P-855397540 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 367.779 |
logP | 1.9658 |
H-bond acceptors | 7 |
H-bond donors | 5 |
Rotatable bonds | 5 |
PSA | 141.08 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 90.8216 |
Atoms | 43 |
Rings | 2 |
Heavy atoms | 25 |
Hydrogen atoms | 18 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 3 |
R/S chiral centers | 3 |
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 |