Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2124199558
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 | 98 | 16 working days | Get Quote |
| 5 mg | 9 USD | 98 | 16 working days | Get Quote |
| 10 mg | 9 USD | 98 | 16 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-2124199558.sdf |
| SMILES | MCULE-2124199558.smiles |
| Standard InChI | MCULE-2124199558.inchi |
| InChIKey | MCULE-2124199558.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867660998 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875829662 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505389547 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353322 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869226388 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606875885 | AmBeed | In stock | N/A | As is | in stock |
| P-596972487 | Angene | Building Blocks in stock | 98 | As is | 175 g |
| P-864150634 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860055542 | AvaChem Scientific | All products | 99 | As is | by synthesis |
| P-580721077 | BLD pharm | In-stock building blocks | 98 | As is | 1000 mg |
| P-871219060 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-505576046 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-851278240 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868592855 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579476642 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-870652846 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505511880 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524163487 | Key Organics | Building Blocks | 98 | As is | 100 mg |
| P-889736959 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-854713966 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-608275759 | Molnova | Stock | 98 | As is | in stock |
| P-888894876 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500404385 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-889878985 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579710552 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888626662 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869107628 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-873224295 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611419503 | Toronto Research | In stock | 90 | As is | in stock |
| P-615417919 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 255.268 |
| logP | 2.9662 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 59.42 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 70.1158 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
