MCULE-9067375078
- 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 | 51 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.
-
1
MCULE-6839281364
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9067375078.sdf |
SMILES | MCULE-9067375078.smiles |
Standard InChI | MCULE-9067375078.inchi |
InChIKey | MCULE-9067375078.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3538239 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-617605954 | Specs | Screening Compounds | 90 | As is | 250 mg |
P-617768784 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 172 mg |
Property | Value |
---|---|
Components | 3 |
Mass | 357.314 |
logP | 5.2613 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 33.29 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 105.5824 |
Atoms | 49 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 26 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |