MCULE-6657752481
- 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-7164285383
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6657752481.sdf |
SMILES | MCULE-6657752481.smiles |
Standard InChI | MCULE-6657752481.inchi |
InChIKey | MCULE-6657752481.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-619307920 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-34725922 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-19370491 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-1411991 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 271 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 418.309 |
logP | 6.1304 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 39.72 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 112.5207 |
Atoms | 49 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 21 |
Heteroatoms | 6 |
N/O atoms | 4 |
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 |