Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2389086366
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 | 70 USD | 95 | 10 working days | Get Quote |
| 5 mg | 71 USD | 95 | 22 working days | Get Quote |
| 10 mg | 71 USD | 95 | 22 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-2389086366.sdf |
| SMILES | MCULE-2389086366.smiles |
| Standard InChI | MCULE-2389086366.inchi |
| InChIKey | MCULE-2389086366.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886622939 | 95 | As is | in stock |
| P-875807366 | 95 | As is | in stock |
| P-1275168157 | 95 | As is | in stock |
| P-1264587424 | 95 | As is | 5 g |
| P-851634962 | N/A | As is | by synthesis |
| P-489240357 | 97 | As is | in stock |
| P-889807955 | 95 | As is | by synthesis |
| P-591001076 | 95 | As is | by synthesis |
| P-861396584 | 95 | As is | by synthesis |
| P-454410641 | 95 | As is | 20.519 g |
| P-18805804 | 95 | As is | 20.519 g |
| P-852414523 | N/A | As is | by synthesis |
| P-869038241 | 95 | As is | by synthesis |
| P-454077418 | 90 | As is | 10 mg |
| P-502409640 | 90 | As is | in stock |
| P-611518715 | 90 | As is | in stock |
| P-893799299 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 261.367 |
| logP | 4.0617 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 82.64 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.6607 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
