MCULE-6624445663
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-3875801841
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6624445663.sdf |
SMILES | MCULE-6624445663.smiles |
Standard InChI | MCULE-6624445663.inchi |
InChIKey | MCULE-6624445663.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-675074816 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-596396145 | Asinex | General screening catalog | 90 | Main component | 37 mg |
P-5543059 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 25 mg |
P-674220298 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 12 mg |
P-34462500 | Crea-Chim | HTS compounds | 90 | Main component | unavailable |
P-454227773 | Specs | Screening Compounds | 90 | Main component | 9 mg |
P-22662157 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
P-888354179 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
P-741234 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 101 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 399.824 |
logP | 1.7327 |
H-bond acceptors | 9 |
H-bond donors | 4 |
Rotatable bonds | 7 |
PSA | 150.03 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 102.2897 |
Atoms | 49 |
Rings | 2 |
Heavy atoms | 27 |
Hydrogen atoms | 22 |
Heteroatoms | 10 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |