Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5165395165
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 | 163 USD | 96 | 12 working days | Get Quote |
| 5 mg | 163 USD | 96 | 12 working days | Get Quote |
| 10 mg | 163 USD | 96 | 12 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.
-
MCULE-7173687683
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5165395165.sdf |
| SMILES | MCULE-5165395165.smiles |
| Standard InChI | MCULE-5165395165.inchi |
| InChIKey | MCULE-5165395165.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860612212 | N/A | As is | by synthesis |
| P-613850476 | 95 | As is | by resynthesis (? - ? days) |
| P-864267622 | 95 | As is | by synthesis |
| P-901549863 | 95 | As is | by synthesis |
| P-851287360 | 95 | As is | by synthesis |
| P-580299583 | 95 | As is | by resynthesis (? - ? days) |
| P-500174326 | 96 | As is | in stock |
| P-613279440 | 95 | As is | by synthesis |
| P-852423515 | N/A | As is | by synthesis |
| P-854790033 | 95 | As is | by synthesis |
| P-873229527 | 90 | As is | in stock |
| P-906818555 | 98 | As is | by synthesis |
| P-611602582 | 90 | As is | in stock |
| P-615465796 | 95 | As is | in stock |
| P-894655671 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1264533705 | 95 | As a main component | 5 g |
| P-905495878 | 95 | As a main component | 10 g |
| P-610976790 | 90 | As a main component | 27 g |
| P-1271925113 | 95 | As a main component | 5 g |
| P-905460769 | 95 | As a main component | in stock |
| P-901549864 | 95 | As a main component | by synthesis |
| P-851287359 | 95 | As a main component | by synthesis |
| P-887171266 | 95 | As a main component | by synthesis |
| P-580280731 | 95 | As a main component | by resynthesis (? - ? days) |
| P-854789343 | 95 | As a main component | by synthesis |
| P-1271602634 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.214 |
| logP | 3.1111 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.4337 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
