MCULE-2831424850
- 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 | 95 | 16 working days | Get Quote |
5 mg | 5 USD | 95 | 16 working days | Get Quote |
10 mg | 5 USD | 95 | 16 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-2831424850.sdf |
SMILES | MCULE-2831424850.smiles |
Standard InChI | MCULE-2831424850.inchi |
InChIKey | MCULE-2831424850.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867591281 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875749699 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-608442208 | Aldlab Chemicals | Building Block Stock | 95 | As is | 272 g |
P-606902776 | AmBeed | In stock | N/A | As is | in stock |
P-596955861 | Angene | Building Blocks in stock | 95 | As is | 3.26 kg |
P-864089855 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-580699752 | BLD pharm | In-stock building blocks | 95 | As is | 825 g |
P-868579279 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862030394 | FluoroChem | General BB | N/A | As is | in stock |
P-494299805 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
P-505529137 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-502931187 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-524195705 | Key Organics | Building Blocks | 95 | As is | 25 g |
P-856007905 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-31267528 | LaboTest | Screening Collection | 90 | As is | 100 mg |
P-467883247 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-580511498 | Manchester Organics | Stock compounds | 97 | As is | 925 g |
P-852485207 | Matrix Scientific | All | N/A | As is | in stock |
P-854729859 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-26465502 | Otava | In-House Stock Library | 90 | As is | 100 mg |
P-500399611 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-19694452 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889867662 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-498716480 | Synthonix | In-stock Building Blocks | 97 | As is | 2.6833 kg |
P-502331958 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611481286 | Toronto Research | In stock | 90 | As is | in stock |
P-615452932 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 252.219 |
logP | 1.0464 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 78.9 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 60.2805 |
Atoms | 30 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |