Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7583665513
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-4117121863
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7583665513.sdf |
| SMILES | MCULE-7583665513.smiles |
| Standard InChI | MCULE-7583665513.inchi |
| InChIKey | MCULE-7583665513.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675486025 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-675344359 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-675256526 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-675515296 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-896153778 | Specs | Screening Compounds | 90 | As is | 1 mg |
| P-873218275 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-892978610 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-894661369 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851806469 | AmBeed | On request | N/A | Main component | by synthesis |
| P-591113720 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-666909048 | ChemBridge | EXPRESS-Pick Collection | 85 | Main component | 50 mg |
| P-34539962 | Crea-Chim | HTS compounds | 90 | Main component | unavailable |
| P-580275588 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-862102619 | FluoroChem | General BB | 95 | Main component | in stock |
| P-492214188 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-502596861 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-502444900 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-613333434 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-460544618 | Life Chemicals | Screening Compounds | 90 | Main component | unavailable |
| P-852506854 | Matrix Scientific | All | N/A | Main component | in stock |
| P-35212788 | Maybridge | Screening Collection | 90 | Main component | 7.783 kg |
| P-854893343 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-856063269 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 1000 mg |
| P-34122339 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-22720415 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502350346 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-855247014 | Toronto Research | In stock | 90 | Main component | in stock |
| P-578064858 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 110 mg |
| P-893865626 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-893752948 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 236.240 |
| logP | 0.3518 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 66.43 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.4715 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
