MCULE-1389248075
- 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 | 47 USD | 98 | 19 working days | Get Quote |
10 mg | 47 USD | 98 | 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-7512792589
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1389248075.sdf |
SMILES | MCULE-1389248075.smiles |
Standard InChI | MCULE-1389248075.inchi |
InChIKey | MCULE-1389248075.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-505403885 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505395945 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-872725862 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-870661149 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-505500653 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-488555467 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-524164516 | Key Organics | Building Blocks | 98 | As is | 100 mg |
P-13792475 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-889869105 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869126263 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888639668 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-611434061 | Toronto Research | In stock | 90 | As is | in stock |
P-855067113 | Toronto Research | In stock | 90 | As is | in stock |
P-617773612 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 128 mg |
P-893163710 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-867453974 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-505391320 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-504649045 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | Main component | 5 mg |
P-899783402 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
P-892254578 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-892339239 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
P-855241440 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 314.850 |
logP | 4.6574 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 16.13 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 99.478 |
Atoms | 45 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 23 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |