Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1453493621-0
Structure
Show compound
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 | 7 USD | 97 | 8 working days | Get Quote |
| 5 mg | 7 USD | 97 | 8 working days | Get Quote |
| 10 mg | 7 USD | 97 | 8 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.
| Name | File |
|---|---|
| SDF | MCULE-1453493621-0.sdf |
| SMILES | MCULE-1453493621-0.smiles |
| Standard InChI | MCULE-1453493621-0.inchi |
| InChIKey | MCULE-1453493621-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867558531 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875717731 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869295678 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-34859380 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436474068 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606898713 | AmBeed | In stock | N/A | As is | in stock |
| P-25948818 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 8 mg |
| P-596944251 | Angene | Building Blocks in stock | 97 | As is | 299 g |
| P-864188115 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580699992 | BLD pharm | In-stock building blocks | 97 | As is | 142 g |
| P-893238088 | Biosynth | In Stock | 95 | As is | in stock |
| P-454735069 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-886856267 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868609233 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580417013 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862048437 | FluoroChem | General BB | 95 | As is | in stock |
| P-492220370 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502476070 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488544523 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-14002921 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-524197492 | Key Organics | Building Blocks | 95 | As is | 25 g |
| P-856007978 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31162401 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580511239 | Manchester Organics | Stock compounds | 97 | As is | 181 g |
| P-852533918 | Matrix Scientific | All | N/A | As is | in stock |
| P-35245438 | Maybridge | Screening Collection | 90 | As is | 3.114 kg |
| P-854692596 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-878646818 | Molnova | Stock | 98 | As is | in stock |
| P-454364977 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500397420 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19647864 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885522901 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596791524 | Synthonix | In-stock Building Blocks | 97 | As is | 742.9 g |
| P-892226621 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869175893 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892290258 | TargetMol | In Stock BB | 95 | As is | 1000 mg |
| P-892320313 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1000 mg |
| P-502327013 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888438649 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611481749 | Toronto Research | In stock | 90 | As is | in stock |
| P-580450097 | Trans World Chemicals | A-chem Products | 97 | As is | in stock |
| P-3219339 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.078 g |
| P-2253197 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.078 g |
| P-893988039 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 240.252 |
| logP | 1.7296 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 64.99 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.2698 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
