Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8373411980
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 | 17 USD | N/A | 9 working days | Get Quote |
| 5 mg | 17 USD | N/A | 9 working days | Get Quote |
| 10 mg | 17 USD | N/A | 9 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-8373411980.sdf |
| SMILES | MCULE-8373411980.smiles |
| Standard InChI | MCULE-8373411980.inchi |
| InChIKey | MCULE-8373411980.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867612083 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875771734 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-853426444 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606895150 | AmBeed | In stock | N/A | As is | in stock |
| P-889474427 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591082379 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-54592 | Chemical Block | Screening Library | 90 | As is | 6 mg |
| P-861378531 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-617831125 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-579459472 | Key Organics | Building Blocks | 97 | As is | 15.313 g |
| P-596547043 | Key Organics | Screening Compounds and Fragments | 97 | As is | 15.313 g |
| P-854802821 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-868129387 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889866476 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-25623833 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 6 mg |
| P-893949432 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.375 |
| logP | 4.6721 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 87.1627 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 21 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
