Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5579386731
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-5579386731.sdf |
| SMILES | MCULE-5579386731.smiles |
| Standard InChI | MCULE-5579386731.inchi |
| InChIKey | MCULE-5579386731.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852137190 | 95 | As is | by synthesis |
| P-889951090 | N/A | As is | by synthesis |
| P-869286876 | 95 | As is | in stock |
| P-851695152 | N/A | As is | by synthesis |
| P-901347369 | 95 | As is | by synthesis |
| P-590909909 | 95 | As is | by synthesis |
| P-6342322 | 90 | As is | 10 mg |
| P-454691950 | 90 | As is | in stock |
| P-888618505 | 90 | As is | 2 mg |
| P-436446331 | 95 | As is | 10 g |
| P-20013256 | 90 | As is | in stock |
| P-861530861 | 95 | As is | by synthesis |
| P-34802612 | 90 | As is | by synthesis |
| P-596590815 | 90 | As is | 5 g |
| P-852396937 | N/A | As is | in stock |
| P-895520443 | 95 | As is | by synthesis |
| P-885525843 | 95 | As is | by synthesis |
| P-23908338 | 90 | As is | in stock |
| P-12746125 | 90 | As is | 41 mg |
| P-22923065 | 90 | As is | in stock |
| P-888563093 | 94 | As is | by resynthesis (? - ? days) |
| P-855357302 | 90 | As is | in stock |
| P-3235794 | 90 | As is | 2.556 g |
| P-1351508 | 90 | As is | 2.556 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 341.786 |
| logP | 5.0422 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 59.42 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 95.2543 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
