Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1089714662
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 | 7 USD | N/A | 10 working days | Get Quote |
| 5 mg | 7 USD | N/A | 10 working days | Get Quote |
| 10 mg | 7 USD | N/A | 10 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.
-
MCULE-2822097087
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1089714662.sdf |
| SMILES | MCULE-1089714662.smiles |
| Standard InChI | MCULE-1089714662.inchi |
| InChIKey | MCULE-1089714662.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875690176 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489114048 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-617552209 | AvaChem Scientific | All products | 95 | As is | by synthesis |
| P-852494381 | Matrix Scientific | All | N/A | As is | in stock |
| P-584623270 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-875702299 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-860053907 | AvaChem Scientific | All products | 95 | As a main component | by synthesis |
| P-871218676 | BOC Sciences | All products | N/A | As a main component | by resynthesis (? - ? days) |
| P-851278396 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-861428011 | Combi-Blocks | Building Block on demand | 98 | As a main component | by synthesis |
| P-854720218 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-584623271 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-608271724 | Molnova | Stock | 98 | As a main component | in stock |
| P-852089991 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-853423363 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-881625768 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-851867941 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-889288495 | FluoroChem | General BB | N/A | As an isomer | in stock |
| P-855953000 | Key Organics | Building Blocks | 97 | As an isomer | 5 mg |
| P-500381603 | Pi Chemicals | Virtual Compounds | 98 | As an isomer | by synthesis |
| P-424947006 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-888640008 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869126687 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| P-873223255 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-886972300 | eNovation Chemicals LLC | Building Block on demand | 97 | As an isomer | by synthesis |
| P-615414501 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 337.411 |
| logP | 3.5895 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 49.77 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 99.2258 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
