MCULE-4368538353
- 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 | 117 USD | 90 | 8 working days | Get Quote |
5 mg | 234 USD | 90 | 8 working days | Get Quote |
10 mg | 351 USD | 90 | 8 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-4368538353.sdf |
SMILES | MCULE-4368538353.smiles |
Standard InChI | MCULE-4368538353.inchi |
InChIKey | MCULE-4368538353.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893138460 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-852081177 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-889910724 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-874634274 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-489180715 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-893243851 | Biosynth | In Stock | 95 | As is | in stock |
P-893243808 | Biosynth | In Stock | 95 | As is | in stock |
P-893243820 | Biosynth | In Stock | 95 | As is | in stock |
P-870649428 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870649429 | Glentham Life Sciences | Compounds typically in stock | 95 | As is | in stock |
P-870651098 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-855986183 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-596562089 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-23118634 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-596709990 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 50 mg |
P-611529199 | Toronto Research | In stock | 90 | As is | in stock |
P-611350258 | Toronto Research | In stock | 90 | As is | in stock |
P-893775587 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893850609 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 342.296 |
logP | -5.3972 |
H-bond acceptors | 11 |
H-bond donors | 8 |
Rotatable bonds | 4 |
PSA | 189.53 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 68.1194 |
Atoms | 45 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 22 |
Heteroatoms | 11 |
N/O atoms | 11 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 10 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 10 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |