Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2214331789-0
Structure
Show compound
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 | 10 USD | 99 | 14 working days | Get Quote |
| 5 mg | 10 USD | 99 | 14 working days | Get Quote |
| 10 mg | 10 USD | 99 | 14 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-2214331789-0.sdf |
| SMILES | MCULE-2214331789-0.smiles |
| Standard InChI | MCULE-2214331789-0.inchi |
| InChIKey | MCULE-2214331789-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661448 | 95 | As is | in stock |
| P-875830378 | 95 | As is | in stock |
| P-590374468 | 95 | As is | by resynthesis (? - ? days) |
| P-903205863 | 99 | As is | 400 g |
| P-1270395522 | 95 | As is | in stock |
| P-606912830 | N/A | As is | in stock |
| P-489196845 | 97 | As is | in stock |
| P-619164689 | 95 | As is | 300 g |
| P-895934227 | 95 | As is | by resynthesis (? - ? days) |
| P-864166731 | 95 | As is | in stock |
| P-590624473 | 95 | As is | 243.7 g |
| P-4209232 | 90 | As is | 100 mg |
| P-851284320 | 95 | As is | by synthesis |
| P-868563531 | 95 | As is | in stock |
| P-862046548 | 99 | As is | 500 g |
| P-12373656 | 92 | As is | 86 mg |
| P-855926881 | 95 | As is | 25 g |
| P-856044301 | 90 | As is | 10 g |
| P-31129328 | 90 | As is | 10 g |
| P-854799601 | 95 | As is | by synthesis |
| P-579248360 | 90 | As is | in stock |
| P-453913160 | 90 | As is | 13 mg |
| P-596775032 | 95 | As is | 300 g |
| P-502364609 | 90 | As is | in stock |
| P-33711711 | 94 | As is | by resynthesis (? - ? days) |
| P-906750956 | 99 | As is | by synthesis |
| P-855352228 | 90 | As is | in stock |
| P-24776169 | 90 | As is | 10 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.322 |
| logP | 4.0758 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 28.68 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.9017 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
