MCULE-8912074169
- 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 | 636 USD | 97 | 24 working days | Get Quote |
5 mg | 636 USD | 97 | 24 working days | Get Quote |
10 mg | 977 USD | 97 | 27 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-3433591649
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8912074169.sdf |
SMILES | MCULE-8912074169.smiles |
Standard InChI | MCULE-8912074169.inchi |
InChIKey | MCULE-8912074169.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-873252723 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-860800025 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
P-873252167 | Key Organics | Building Blocks | 95 | Main component | 5 mg |
P-579457963 | Key Organics | Building Blocks | 97 | Main component | 250 mg |
P-596584399 | Key Organics | Building Blocks | 97 | Main component | 10 mg |
P-889882074 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 757.335 |
logP | 6.9523 |
H-bond acceptors | 12 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 148.54 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 214.1176 |
Atoms | 101 |
Rings | 6 |
Heavy atoms | 52 |
Hydrogen atoms | 49 |
Heteroatoms | 14 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |