MCULE-9375541396
- 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 | 97 | 8 working days | Get Quote |
5 mg | 7 USD | 97 | 8 working days | Get Quote |
10 mg | 7 USD | 97 | 8 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-6361233338
- Component type: Main
-
1
MCULE-1568229930
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9375541396.sdf |
SMILES | MCULE-9375541396.smiles |
Standard InChI | MCULE-9375541396.inchi |
InChIKey | MCULE-9375541396.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590832695 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-893627277 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-895244826 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-494492824 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
P-580704321 | BLD pharm | In-stock building blocks | 97 | Main component | 36 g |
P-851287022 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
P-868582274 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
P-862000877 | FluoroChem | General BB | 95 | Main component | in stock |
P-608086134 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
P-852488484 | Matrix Scientific | All | N/A | Main component | in stock |
P-854727295 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
P-489187848 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 440.444 |
logP | 0.2775 |
H-bond acceptors | 11 |
H-bond donors | 5 |
Rotatable bonds | 7 |
PSA | 187.69 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 111.5246 |
Atoms | 59 |
Rings | 2 |
Heavy atoms | 31 |
Hydrogen atoms | 28 |
Heteroatoms | 11 |
N/O atoms | 11 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |