MCULE-1397457487-0
- 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 | 9 USD | 95 | 19 working days | Get Quote |
| 5 mg | 9 USD | 95 | 19 working days | Get Quote |
| 10 mg | 9 USD | 95 | 19 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-1397457487-0.sdf |
| SMILES | MCULE-1397457487-0.smiles |
| Standard InChI | MCULE-1397457487-0.inchi |
| InChIKey | MCULE-1397457487-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535702 | 95 | As is | in stock |
| P-875691016 | N/A | As is | in stock |
| P-590358437 | 95 | As is | in stock |
| P-903011532 | 97 | As is | 20 g |
| P-893542713 | 90 | As is | 361.664 g |
| P-606898734 | N/A | As is | in stock |
| P-489178327 | 97 | As is | in stock |
| P-619135445 | 95 | As is | 40 g |
| P-895934937 | 95 | As is | by resynthesis (? - ? days) |
| P-864089765 | 95 | As is | in stock |
| P-615696907 | 95 | As is | 37.7 g |
| P-868640607 | 96 | As is | in stock |
| P-580442802 | 95 | As is | by resynthesis (? - ? days) |
| P-905329412 | 95 | As is | 10 g |
| P-861927753 | 95 | As is | 71.562 g |
| P-488545606 | 90 | As is | in stock |
| P-12773711 | 95 | As is | 300 mg |
| P-608086069 | 95 | As is | 25 g |
| P-854745104 | 95 | As is | in stock |
| P-888889284 | N/A | As is | in stock |
| P-454370539 | 92 | As is | in stock |
| P-13271075 | 92 | As is | 300 mg |
| P-500393321 | 95 | As is | by synthesis |
| P-885529088 | 95 | As is | by synthesis |
| P-519909977 | 90 | As is | in stock |
| P-906792659 | 95 | As is | by synthesis |
| P-611350685 | 90 | As is | in stock |
| P-1821449 | 90 | As is | 135 mg |
| P-893993293 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.257 |
| logP | 4.6647 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 12 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.6368 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 27 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

