MCULE-7509660653
- 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 | 89 USD | 90 | 17 working days | Get Quote |
5 mg | 260 USD | 90 | 9 working days | Get Quote |
10 mg | 260 USD | 90 | 9 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.
Name | File |
---|---|
SDF | MCULE-7509660653.sdf |
SMILES | MCULE-7509660653.smiles |
Standard InChI | MCULE-7509660653.inchi |
InChIKey | MCULE-7509660653.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596328189 | Asinex | General screening catalog | 90 | As is | unavailable |
P-4017509 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-642352321 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-453961764 | Specs | Screening Compounds | 90 | As is | 14 mg |
P-873105030 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 224.213 |
logP | 0.9009 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 90.65 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 56.6461 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |