MCULE-7703149050-1
- 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 | 86 USD | 98 | 17 working days | Get Quote |
5 mg | 86 USD | 98 | 17 working days | Get Quote |
10 mg | 86 USD | 98 | 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.
-
MCULE-9638104352-1
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7703149050-1.sdf |
SMILES | MCULE-7703149050-1.smiles |
Standard InChI | MCULE-7703149050-1.inchi |
InChIKey | MCULE-7703149050-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893170115 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-861285907 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-870662608 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
P-870653775 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-596577958 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-608115052 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
P-885544635 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-893968921 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 347.221 |
logP | -1.2818 |
H-bond acceptors | 12 |
H-bond donors | 5 |
Rotatable bonds | 4 |
PSA | 195.88 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 73.5841 |
Atoms | 37 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 14 |
Heteroatoms | 13 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |