Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3726196442
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 | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 69 USD | 98 | 13 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-3726196442.sdf |
| SMILES | MCULE-3726196442.smiles |
| Standard InChI | MCULE-3726196442.inchi |
| InChIKey | MCULE-3726196442.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266108906 | 98 | As is | in stock |
| P-890158802 | 98 | As is | in stock |
| P-869223915 | 98 | As is | by resynthesis (? - ? days) |
| P-903156448 | 95 | As is | 50 mg |
| P-907338300 | 90 | As is | 15.35 g |
| P-881618604 | N/A | As is | by synthesis |
| P-892190547 | 95 | As is | 50 mg |
| P-1274832345 | 95 | As is | by resynthesis (? - ? days) |
| P-1275490731 | 95 | As is | in stock |
| P-890226121 | 97 | As is | by synthesis |
| P-861279589 | 95 | As is | in stock |
| P-580439787 | 95 | As is | by resynthesis (? - ? days) |
| P-895523555 | 95 | As is | by synthesis |
| P-491491052 | 95 | As is | by synthesis |
| P-19823900 | 90 | As is | in stock |
| P-896085945 | N/A | As is | 9 mg |
| P-904084432 | 98 | As is | 570 mg |
| P-33223578 | 90 | As is | in stock |
| P-611570370 | 90 | As is | in stock |
| P-35077712 | 90 | As is | 88 mg |
| P-894008209 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.157 |
| logP | 1.9564 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 56.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.8884 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
