Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4572486882
Compound
Show structure
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 | 14 USD | 97 | 20 working days | Get Quote |
| 5 mg | 14 USD | 97 | 20 working days | Get Quote |
| 10 mg | 14 USD | 97 | 20 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-4572486882.sdf |
| SMILES | MCULE-4572486882.smiles |
| Standard InChI | MCULE-4572486882.inchi |
| InChIKey | MCULE-4572486882.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867543255 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875700275 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595211471 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-425209707 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-575292175 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436468398 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606885834 | AmBeed | In stock | N/A | As is | in stock |
| P-596986438 | Angene | Building Blocks in stock | 97 | As is | 150 g |
| P-869457642 | Asinex | General screening catalog | 90 | As is | 228 mg |
| P-864175316 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-869375550 | BLD pharm | In-stock building blocks | 97 | As is | 49.23 g |
| P-454628570 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851338560 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-870587052 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-34761154 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580780407 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
| P-580429613 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862068125 | FluoroChem | General BB | N/A | As is | in stock |
| P-890218498 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590340928 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-503318572 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-492221614 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502760331 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12487552 | InterBioScreen | Screening Compounds | 92 | As is | 229 mg |
| P-454386720 | Key Organics | Building Blocks | 95 | As is | 1.436 g |
| P-454289026 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.436 g |
| P-860599201 | Life Chemicals | Screening Compounds | 90 | As is | 93 mg |
| P-852447907 | Matrix Scientific | All | N/A | As is | in stock |
| P-874447859 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-12325518 | Otava | In-House Stock Library | 90 | As is | 71 mg |
| P-445284341 | Pharmeks LLC | Synthetic compounds | 92 | As is | 229 mg |
| P-18828118 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-596795016 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873279862 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-33464445 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502331215 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888432165 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611379831 | Toronto Research | In stock | 90 | As is | in stock |
| P-3241160 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 288 mg |
| P-667018853 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 237.252 |
| logP | 2.4811 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 71.5445 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
