Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3161062012
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5535008514
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3161062012.sdf |
| SMILES | MCULE-3161062012.smiles |
| Standard InChI | MCULE-3161062012.inchi |
| InChIKey | MCULE-3161062012.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867623750 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-590419161 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-517095238 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851744346 | AmBeed | On request | N/A | As is | by synthesis |
| P-3347055 | ChemDiv | Discovery Chemistry Library | 90 | As is | 39 mg |
| P-502595858 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502808227 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502468631 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503136886 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12493397 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-454380599 | Key Organics | Building Blocks | 95 | As is | 37.288 g |
| P-18717851 | Key Organics | Screening Compounds and Fragments | 95 | As is | 37.288 g |
| P-35166574 | Maybridge | Screening Collection | 90 | As is | 18.122 kg |
| P-12958812 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-18834854 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502326862 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873215388 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22442884 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-1848163 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 159 mg |
| P-868530561 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-4313501 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 50 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.313 |
| logP | 2.0109 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 85.74 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 67.4071 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
