MCULE-3720911045
- 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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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-3720911045.sdf |
| SMILES | MCULE-3720911045.smiles |
| Standard InChI | MCULE-3720911045.inchi |
| InChIKey | MCULE-3720911045.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585795 | 97 | As is | in stock |
| P-875744362 | N/A | As is | in stock |
| P-590392828 | 95 | As is | in stock |
| P-903075692 | 97 | As is | 100 g |
| P-905480399 | 95 | As is | 100 g |
| P-610982230 | 90 | As is | 11.5736 kg |
| P-580243504 | 95 | As is | by synthesis |
| P-893299368 | N/A | As is | in stock |
| P-606894909 | N/A | As is | in stock |
| P-489134809 | 97 | As is | in stock |
| P-596954237 | 97 | As is | 250 g |
| P-494339942 | 95 | As is | by resynthesis (? - ? days) |
| P-864101294 | 95 | As is | in stock |
| P-580698202 | 97 | As is | 27 g |
| P-492255331 | 95 | As is | in stock |
| P-454705266 | 90 | As is | in stock |
| P-436456498 | 95 | As is | 17 g |
| P-34891990 | 90 | As is | in stock |
| P-851251089 | 95 | As is | by synthesis |
| P-861276247 | 95 | As is | in stock |
| P-868581469 | 95 | As is | in stock |
| P-580389635 | N/A | As is | by resynthesis (? - ? days) |
| P-905338797 | 97 | As is | in stock |
| P-861988555 | 97 | As is | 455.211 g |
| P-890213774 | 90 | As is | in stock |
| P-590336194 | 90 | As is | 1000 mg |
| P-454413237 | 97 | As is | 1000 mg |
| P-579619516 | 95 | As is | 50 g |
| P-613279559 | 95 | As is | by synthesis |
| P-580491679 | N/A | As is | by synthesis |
| P-852429184 | N/A | As is | in stock |
| P-854724835 | 95 | As is | in stock |
| P-888860802 | N/A | As is | in stock |
| P-856066111 | 95 | As is | in stock |
| P-873285317 | N/A | As is | in stock |
| P-613811013 | 95 | As is | in stock |
| P-596756208 | 97 | As is | 691.24 g |
| P-502359300 | 90 | As is | in stock |
| P-888471453 | 94 | As is | by resynthesis (? - ? days) |
| P-906904956 | 97 | As is | in stock |
| P-611391835 | 90 | As is | in stock |
| P-893942514 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 114.142 |
| logP | 1.2612 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 30.6138 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 10 |
| 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 |

