MCULE-5281049691
- 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 | 5 USD | 98 | 9 working days | Get Quote |
5 mg | 5 USD | 98 | 9 working days | Get Quote |
10 mg | 5 USD | 98 | 9 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-5281049691.sdf |
SMILES | MCULE-5281049691.smiles |
Standard InChI | MCULE-5281049691.inchi |
InChIKey | MCULE-5281049691.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867563579 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875722760 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869189232 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-579761019 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-606910291 | AmBeed | In stock | N/A | As is | in stock |
P-597009301 | Angene | Building Blocks in stock | 98 | As is | 108.2 kg |
P-619603024 | BLD pharm | In-stock building blocks | 98 | As is | 2.6 kg |
P-868612802 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-870658647 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-675211680 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-596564781 | Key Organics | Building Blocks | 97 | As is | 10 g |
P-889736078 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-856010336 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-854721516 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-608269876 | Molnova | Stock | 98 | As is | in stock |
P-889867233 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888627109 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-464625206 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-502369057 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611523976 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 118.174 |
logP | 0.5282 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 40.46 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 33.3176 |
Atoms | 22 |
Rings | 0 |
Heavy atoms | 8 |
Hydrogen atoms | 14 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |