Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2982046781
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 | 5 USD | 97 | 16 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-2982046781.sdf |
| SMILES | MCULE-2982046781.smiles |
| Standard InChI | MCULE-2982046781.inchi |
| InChIKey | MCULE-2982046781.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867662031 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875831060 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597027362 | AEchem | Building blocks | 95 | As is | in stock |
| P-606846715 | AmBeed | In stock | N/A | As is | in stock |
| P-596972983 | Angene | Building Blocks in stock | 98 | As is | 50 g |
| P-452649467 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-855882850 | Chemshuttle | Stock catalog | 95 | As is | 3.7 g |
| P-861488112 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-488555487 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-596583284 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-854693485 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-608276409 | Molnova | Stock | 98 | As is | in stock |
| P-619672777 | Molnova | Stock | 98 | As is | in stock |
| P-888676866 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885538009 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869175809 | TargetMol | Natural Products | 95 | As is | 300 mg |
| P-594196285 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 301 mg |
| P-666967046 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 364.350 |
| logP | 1.7852 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 101.65 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 97.3378 |
| Atoms | 43 |
| Rings | 5 |
| Heavy atoms | 27 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
