Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4997855178-0
Structure
Show compound
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-6656338642-1
- Component type: Main
-
1
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4997855178-0.sdf |
| SMILES | MCULE-4997855178-0.smiles |
| Standard InChI | MCULE-4997855178-0.inchi |
| InChIKey | MCULE-4997855178-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893239046 | Biosynth | In Stock | 95 | Main component | in stock |
| P-580450398 | CliniSciences S.A.S | All products | 99 | Main component | in stock |
| P-611416702 | Toronto Research | In stock | 90 | Main component | in stock |
| P-851286683 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-500228664 | Diverchim | Diverchim General Catalog | N/A | Main component as a main component | in stock |
| P-505498251 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-488546271 | InterBioScreen | Building Blocks | 90 | Main component as a main component | in stock |
| P-24253270 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | 300 mg |
| P-596581434 | Key Organics | Building Blocks | 97 | Main component as a main component | 250 mg |
| P-454366079 | Pharmeks LLC | Building Blocks | 92 | Main component as a main component | in stock |
| P-675098964 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
| P-889852908 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-855002288 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-855002289 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-617777267 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 1000 mg |
| P-617715644 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component as a main component | 1000 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 375.954 |
| logP | 5.3228 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 65.99 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 102.6098 |
| Atoms | 54 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 30 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
