Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3376318794
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 | 29 USD | N/A | 47 working days | Get Quote |
| 5 mg | 29 USD | N/A | 47 working days | Get Quote |
| 10 mg | 29 USD | N/A | 47 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-3376318794.sdf |
| SMILES | MCULE-3376318794.smiles |
| Standard InChI | MCULE-3376318794.inchi |
| InChIKey | MCULE-3376318794.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852096528 | N/A | As is | by synthesis |
| P-867416957 | 95 | As is | by synthesis |
| P-1268872834 | N/A | As is | by synthesis |
| P-1268927425 | 95 | As is | by synthesis |
| P-851782977 | N/A | As is | by synthesis |
| P-611086347 | 95 | As is | by synthesis |
| P-870650756 | N/A | As is | in stock |
| P-870650774 | N/A | As is | in stock |
| P-870651124 | N/A | As is | in stock |
| P-870651127 | 90 | As is | in stock |
| P-870651140 | 97 | As is | in stock |
| P-588710926 | 97 | As is | unavailable |
| P-596566159 | 97 | As is | 100 mg |
| P-855985822 | 97 | As is | 50 mg |
| P-596597669 | 90 | As is | 500 mg |
| P-524181428 | 95 | As is | 25 g |
| P-524194247 | 95 | As is | 100 g |
| P-856007824 | 95 | As is | 100 mg |
| P-856011088 | 90 | As is | unavailable |
| P-885530815 | 95 | As is | by synthesis |
| P-868130527 | 90 | As is | in stock |
| P-906758046 | 98 | As is | by synthesis |
| P-906776373 | 97 | As is | by synthesis |
| P-611349789 | 90 | As is | in stock |
| P-464690104 | 90 | As is | 1.604 g |
| P-35133819 | 90 | As is | 1.604 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.140 |
| logP | -3.0132 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 107.22 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 34.7742 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
