MCULE-8288811552
- 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-6964893377
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8288811552.sdf |
SMILES | MCULE-8288811552.smiles |
Standard InChI | MCULE-8288811552.inchi |
InChIKey | MCULE-8288811552.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867417275 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-596511204 | Asinex | General bb catalog | 90 | Main component | 104 mg |
P-596340476 | Asinex | General screening catalog | 90 | Main component | 104 mg |
P-34739587 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
P-12444834 | InterBioScreen | Screening Compounds | 92 | Main component | 104 mg |
P-596585909 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
P-864022857 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-621859059 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
P-18993112 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-885522395 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-896171018 | Specs | Screening Compounds | 90 | Main component | unavailable |
P-3216030 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 10.605 g |
P-25052464 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 10.605 g |
P-675517464 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 313.346 |
logP | 1.3609 |
H-bond acceptors | 7 |
H-bond donors | 4 |
Rotatable bonds | 7 |
PSA | 116.09 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 81.0491 |
Atoms | 45 |
Rings | 1 |
Heavy atoms | 22 |
Hydrogen atoms | 23 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |