Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9051253446
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 116 USD | 90 | 9 working days | Get Quote |
| 10 mg | 137 USD | 90 | 27 working days | Get Quote |
- 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-9051253446.sdf |
| SMILES | MCULE-9051253446.smiles |
| Standard InChI | MCULE-9051253446.inchi |
| InChIKey | MCULE-9051253446.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867635065 | 95 | As is | in stock |
| P-875800546 | 95 | As is | in stock |
| P-612937102 | 95 | As is | by resynthesis (? - ? days) |
| P-851431166 | N/A | As is | by synthesis |
| P-596496154 | 90 | As is | 1000 mg |
| P-596444097 | 90 | As is | 1000 mg |
| P-901351867 | 95 | As is | by synthesis |
| P-492247606 | 95 | As is | in stock |
| P-614044793 | 90 | As is | 5 mg |
| P-619934852 | 90 | As is | by synthesis |
| P-436456205 | 95 | As is | in stock |
| P-34585299 | 90 | As is | by synthesis |
| P-1275233939 | 90 | As is | in stock |
| P-855972779 | 95 | As is | 1000 mg |
| P-852386582 | N/A | As is | by synthesis |
| P-854921458 | 95 | As is | by synthesis |
| P-491134112 | 95 | As is | by synthesis |
| P-23882795 | 90 | As is | in stock |
| P-33464795 | 90 | As is | in stock |
| P-502335017 | 90 | As is | in stock |
| P-903655327 | 94 | As is | by resynthesis (? - ? days) |
| P-611608840 | 90 | As is | in stock |
| P-1235424 | 90 | As is | 3 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.626 |
| logP | 1.3532 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 58.89 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.5928 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| 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 |
