Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4498954840
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 66 USD | 90 | 19 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-4498954840.sdf |
| SMILES | MCULE-4498954840.smiles |
| Standard InChI | MCULE-4498954840.inchi |
| InChIKey | MCULE-4498954840.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892895550 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-890193934 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-878259735 | AmBeed | In stock | N/A | As is | in stock |
| P-888837151 | Angene | Building Blocks in stock | 98 | As is | 31.82 g |
| P-889586818 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-878233517 | BLD pharm | In-stock building blocks | 98 | As is | 31.82 g |
| P-427983200 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-607689654 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-889729957 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34796246 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-873244729 | Key Organics | Building Blocks | 90 | As is | 1 mg |
| P-869096602 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-624279552 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-23823751 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12742442 | Specs | Screening Compounds | 90 | As is | 10 mg |
| P-892271121 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892348926 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-22792507 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-2530254 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
| P-886912253 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 353.454 |
| logP | 4.4743 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 38.77 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 107.6465 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 27 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
