Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5677746416
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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 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-5677746416.sdf |
| SMILES | MCULE-5677746416.smiles |
| Standard InChI | MCULE-5677746416.inchi |
| InChIKey | MCULE-5677746416.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867303892 | N/A | As is | by synthesis |
| P-889924686 | N/A | As is | by synthesis |
| P-612942346 | 95 | As is | in stock |
| P-851479836 | N/A | As is | by synthesis |
| P-596448620 | 90 | As is | 1000 mg |
| P-596496622 | 90 | As is | 1000 mg |
| P-901351071 | 95 | As is | by synthesis |
| P-590805225 | 95 | As is | by synthesis |
| P-3688253 | 90 | As is | 10 mg |
| P-454715743 | 90 | As is | in stock |
| P-449240393 | 90 | As is | 60 mg |
| P-436454070 | 95 | As is | in stock |
| P-19911594 | 90 | As is | in stock |
| P-861525949 | 95 | As is | by synthesis |
| P-580759732 | 90 | As is | in stock |
| P-575333748 | 95 | As is | in stock |
| P-579803031 | 90 | As is | in stock |
| P-569192418 | 90 | As is | in stock |
| P-569433783 | 95 | As is | 12.19 g |
| P-502817376 | 90 | As is | in stock |
| P-492246339 | 95 | As is | in stock |
| P-488543638 | 90 | As is | in stock |
| P-13936145 | 95 | As is | 300 mg |
| P-563681745 | 95 | As is | 1000 mg |
| P-867706337 | N/A | As is | by synthesis |
| P-852386657 | N/A | As is | in stock |
| P-895284510 | 95 | As is | by synthesis |
| P-492280685 | 95 | As is | 12.19 g |
| P-34031737 | 90 | As is | 12.19 g |
| P-454363671 | 92 | As is | in stock |
| P-856065850 | 95 | As is | in stock |
| P-19399599 | 90 | As is | in stock |
| P-23339204 | 90 | As is | in stock |
| P-502358849 | 90 | As is | in stock |
| P-888436733 | 94 | As is | by resynthesis (? - ? days) |
| P-855214304 | 90 | As is | in stock |
| P-3248823 | 90 | As is | 397 mg |
| P-25115854 | 90 | As is | 397 mg |
| P-893710389 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.235 |
| logP | 1.8937 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 60.69 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.1433 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
