Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1277044801
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 | 19 USD | 98 | 22 working days | Get Quote |
| 5 mg | 61 USD | N/A | 9 working days | Get Quote |
| 10 mg | 85 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-1277044801.sdf |
| SMILES | MCULE-1277044801.smiles |
| Standard InChI | MCULE-1277044801.inchi |
| InChIKey | MCULE-1277044801.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867544095 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-867546640 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-893610286 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 210 mg |
| P-893610466 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 175.575 g |
| P-891647795 | AmBeed | On request | N/A | As is | by synthesis |
| P-606886115 | AmBeed | In stock | N/A | As is | in stock |
| P-596939826 | Angene | Building Blocks in stock | 99 | As is | 10 mg |
| P-580194303 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-887314864 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-864125639 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868544812 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-860798657 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-675217652 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-868078845 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524179618 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-855924344 | Key Organics | Building Blocks | 97 | As is | 50 mg |
| P-579712294 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-464635515 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-525179576 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892290070 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892296761 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888637244 | TargetMol | Screening Compounds - stock amount | 95 | As is | 200 mg |
| P-888657273 | TargetMol | Screening Compounds - stock amount | 95 | As is | 192 mg |
| P-575302166 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 443.306 |
| logP | 3.8506 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 97.62 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 94.0744 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 11 |
| Heteroatoms | 14 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
