Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4502596385
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 | 46 USD | 95 | 10 working days | Get Quote |
| 5 mg | 46 USD | 95 | 10 working days | Get Quote |
| 10 mg | 46 USD | 95 | 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.
-
1
MCULE-3785208823
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4502596385.sdf |
| SMILES | MCULE-4502596385.smiles |
| Standard InChI | MCULE-4502596385.inchi |
| InChIKey | MCULE-4502596385.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867459111 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-889912585 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-612935246 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-903102340 | Aaron Chemicals LLC | Predominantly Building Block | 95 | Main component | 1000 mg |
| P-851642252 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596516740 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-596439839 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-590968129 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-852384402 | Matrix Scientific | All | N/A | Main component | in stock |
| P-864055382 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-500394316 | Pi Chemicals | Virtual Compounds | 95 | Main component | by synthesis |
| P-502340460 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-33531797 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-867670999 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-875844662 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-851896080 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-611099822 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
| P-492269324 | ChemBridge | Building Block Library | 95 | Main component as a main component | in stock |
| P-872447705 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component as a main component | 100 mg |
| P-868569115 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-852552155 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-864067987 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-592667101 | Otava | Virtual BB | 95 | Main component as a main component | by synthesis |
| P-902894234 | Specs | Natural Products | 80 | Main component as a main component | 146 mg |
| P-617597730 | Specs | Screening Compounds | 90 | Main component as a main component | 146 mg |
| P-855336153 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-617758463 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 114 mg |
| P-893678858 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 319.327 |
| logP | 3.223 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 86.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 83.5403 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
