Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4994762451-1
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 | 27 USD | 95 | 14 working days | Get Quote |
| 5 mg | 27 USD | 95 | 14 working days | Get Quote |
| 10 mg | 30 USD | 95 | 7 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-4994762451-1.sdf |
| SMILES | MCULE-4994762451-1.smiles |
| Standard InChI | MCULE-4994762451-1.inchi |
| InChIKey | MCULE-4994762451-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867621404 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875784064 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615724606 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903130863 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 1000 mg |
| P-893618691 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.15 g |
| P-606878894 | AmBeed | In stock | N/A | As is | in stock |
| P-865917516 | Angene | Building Blocks in stock | 98 | As is | 750 mg |
| P-864208793 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-889744992 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 4.5 g |
| P-666960382 | BLD pharm | In-stock building blocks | 98 | As is | 250 mg |
| P-901453870 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-870587971 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-505494011 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855962734 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-852465438 | Matrix Scientific | All | N/A | As is | in stock |
| P-895894961 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-888169909 | Molnova | On demand | 98 | As is | by synthesis |
| P-888842869 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-889880933 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869163434 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892299589 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888658793 | TargetMol | Screening Compounds - stock amount | 95 | As is | 90 mg |
| P-872761442 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 468.365 |
| logP | 2.1145 |
| H-bond acceptors | 11 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 173.71 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 115.7254 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 16 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| 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 |
