MCULE-8908044876
- 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 | 30 USD | 98 | 20 working days | Get Quote |
5 mg | 77 USD | 98 | 12 working days | Get Quote |
10 mg | 77 USD | 98 | 12 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-8908044876.sdf |
SMILES | MCULE-8908044876.smiles |
Standard InChI | MCULE-8908044876.inchi |
InChIKey | MCULE-8908044876.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875767652 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-865914000 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
P-872723261 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-855923679 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-889866223 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 362.463 |
logP | 3.9832 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 14 |
PSA | 84.5 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 101.5764 |
Atoms | 56 |
Rings | 1 |
Heavy atoms | 26 |
Hydrogen atoms | 30 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |