Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5139954234
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-5139954234.sdf |
| SMILES | MCULE-5139954234.smiles |
| Standard InChI | MCULE-5139954234.inchi |
| InChIKey | MCULE-5139954234.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612909631 | 95 | As is | by synthesis |
| P-875793307 | N/A | As is | in stock |
| P-590360480 | 95 | As is | in stock |
| P-851504404 | N/A | As is | by synthesis |
| P-901347629 | 95 | As is | by synthesis |
| P-590783189 | 95 | As is | by synthesis |
| P-504713280 | 85 | As is | 5 mg |
| P-454754881 | 90 | As is | in stock |
| P-454693173 | 90 | As is | in stock |
| P-619855368 | 90 | As is | 95 mg |
| P-436446958 | 95 | As is | 10 g |
| P-675046297 | 90 | As is | in stock |
| P-19918176 | 90 | As is | in stock |
| P-868636122 | 95 | As is | in stock |
| P-34459669 | 90 | As is | in stock |
| P-580775116 | 90 | As is | by resynthesis (? - ? days) |
| P-580764602 | 90 | As is | in stock |
| P-596590386 | 90 | As is | 1000 mg |
| P-580487775 | N/A | As is | by synthesis |
| P-852397313 | N/A | As is | in stock |
| P-854839593 | 95 | As is | by synthesis |
| P-500390579 | 98 | As is | by synthesis |
| P-491128009 | 95 | As is | by synthesis |
| P-23859285 | 90 | As is | in stock |
| P-12820713 | 90 | As is | 54 mg |
| P-33464965 | 90 | As is | in stock |
| P-502341626 | 90 | As is | in stock |
| P-888472025 | 94 | As is | by resynthesis (? - ? days) |
| P-855301932 | 90 | As is | in stock |
| P-1144723 | 90 | As is | 667 mg |
| P-3234780 | 90 | As is | 667 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 355.608 |
| logP | 4.5026 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 82.0105 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
