Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4697845611
Compound
Show structures
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 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 8 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-4697845611.sdf |
| SMILES | MCULE-4697845611.smiles |
| Standard InChI | MCULE-4697845611.inchi |
| InChIKey | MCULE-4697845611.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867585328 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875743891 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597026234 | AEchem | Building blocks | 97 | As is | in stock |
| P-535625109 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505399178 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-436462350 | Alinda | Building Blocks | 95 | As is | 5 g |
| P-606938323 | AmBeed | In stock | N/A | As is | in stock |
| P-489123326 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596954077 | Angene | Building Blocks in stock | 98 | As is | 963.89 g |
| P-866722814 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864132532 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580708660 | BLD pharm | In-stock building blocks | 98 | As is | 1.77 kg |
| P-893223644 | Biosynth | In Stock | 95 | As is | in stock |
| P-454713695 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851305942 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868639784 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-881679210 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | As is | by resynthesis (? - ? days) |
| P-889113051 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-870647047 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-893288571 | HTS Biochemie Innovationen GmbH | PROTAC | 90 | As is | in stock |
| P-890202544 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 100 mg |
| P-505537357 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-493673733 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
| P-579614100 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852410648 | Matrix Scientific | All | N/A | As is | in stock |
| P-854712710 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-872669042 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-34031161 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-885517281 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596754275 | Synthonix | In-stock Building Blocks | 95 | As is | 9.5347 kg |
| P-869160595 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888655848 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-611414093 | Toronto Research | In stock | 90 | As is | in stock |
| P-615398375 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.289 |
| logP | 2.547 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 61.2765 |
| Atoms | 37 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 21 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
