MCULE-6448344681
- 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 | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-6448344681.sdf |
SMILES | MCULE-6448344681.smiles |
Standard InChI | MCULE-6448344681.inchi |
InChIKey | MCULE-6448344681.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867440785 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894630034 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-34907557 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-3741569 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-852392634 | Matrix Scientific | All | N/A | As is | in stock |
P-864025818 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424833484 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22652401 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502385190 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888468656 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611588856 | Toronto Research | In stock | 90 | As is | in stock |
P-2867405 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 126 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 192.257 |
logP | 2.7692 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 58.2636 |
Atoms | 30 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |