Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4945067440
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 | 98 | 11 working days | Get Quote |
| 5 mg | 17 USD | 98 | 11 working days | Get Quote |
| 10 mg | 17 USD | 98 | 11 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-4945067440.sdf |
| SMILES | MCULE-4945067440.smiles |
| Standard InChI | MCULE-4945067440.inchi |
| InChIKey | MCULE-4945067440.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867587122 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875745827 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590397925 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580234355 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-864305469 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-868608548 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-890219021 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590341469 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 20 g |
| P-488550990 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-596564098 | Key Organics | Building Blocks | 97 | As is | 500 g |
| P-613284575 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580487999 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852505096 | Matrix Scientific | All | N/A | As is | in stock |
| P-454369232 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-859995262 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579267569 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-611458002 | Toronto Research | In stock | 90 | As is | in stock |
| P-855008696 | Toronto Research | In stock | 90 | As is | in stock |
| P-3228366 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-3026740 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 150.602 |
| logP | 1.5685 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 37.037 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
