MCULE-6652801306
- 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 | 15 USD | 98 | 22 working days | Get Quote |
| 5 mg | 15 USD | 98 | 22 working days | Get Quote |
| 10 mg | 15 USD | 98 | 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-6652801306.sdf |
| SMILES | MCULE-6652801306.smiles |
| Standard InChI | MCULE-6652801306.inchi |
| InChIKey | MCULE-6652801306.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867674233 | 98 | As is | in stock |
| P-875849376 | 98 | As is | in stock |
| P-869328574 | 95 | As is | by resynthesis (? - ? days) |
| P-903253214 | 98 | As is | 10 g |
| P-893496140 | 90 | As is | 47.054 g |
| P-1270349353 | 98 | As is | in stock |
| P-851932626 | N/A | As is | in stock |
| P-865929251 | 98 | As is | 10 g |
| P-895940842 | 95 | As is | by resynthesis (? - ? days) |
| P-864210689 | 95 | As is | in stock |
| P-901516657 | 95 | As is | by synthesis |
| P-887157924 | 95 | As is | by synthesis |
| P-1275225265 | 98 | As is | 100 mg |
| P-889283280 | 98 | As is | 16.78 g |
| P-590338217 | 90 | As is | 1000 mg |
| P-890215783 | 90 | As is | in stock |
| P-870137640 | 95 | As is | in stock |
| P-854753420 | 95 | As is | in stock |
| P-888875552 | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.055 |
| logP | 2.9068 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.632 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

