MCULE-8015590751
- 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 | 31 USD | 98 | 16 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 65 USD | 98 | 11 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-8015590751.sdf |
| SMILES | MCULE-8015590751.smiles |
| Standard InChI | MCULE-8015590751.inchi |
| InChIKey | MCULE-8015590751.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867625526 | 98 | As is | in stock |
| P-875788444 | N/A | As is | in stock |
| P-595221047 | 95 | As is | in stock |
| P-903138904 | 98 | As is | 5 g |
| P-893605975 | 90 | As is | 5.702 g |
| P-606895184 | N/A | As is | in stock |
| P-865918671 | 98 | As is | 500 mg |
| P-872727599 | 98 | As is | in stock |
| P-864131794 | 95 | As is | in stock |
| P-860056469 | 98 | As is | by synthesis |
| P-878234299 | 95 | As is | 2.781 g |
| P-901429670 | 95 | As is | by synthesis |
| P-608405163 | 90 | As is | in stock |
| P-577210936 | 90 | As is | 63 mg |
| P-436480715 | 95 | As is | in stock |
| P-612675740 | 90 | As is | in stock |
| P-860799102 | 98 | As is | in stock |
| P-870586259 | 98 | As is | in stock |
| P-579479456 | 95 | As is | in stock |
| P-580325289 | 95 | As is | by resynthesis (? - ? days) |
| P-428624551 | 90 | As is | in stock |
| P-492272773 | 95 | As is | 1.475 g |
| P-502997989 | 90 | As is | in stock |
| P-492245478 | 95 | As is | in stock |
| P-563685126 | 95 | As is | 1000 mg |
| P-852560668 | N/A | As is | in stock |
| P-854721846 | 95 | As is | in stock |
| P-584623530 | 95 | As is | in stock |
| P-878643625 | 98 | As is | in stock |
| P-423732133 | 90 | As is | 1.475 g |
| P-492275262 | 95 | As is | 1.475 g |
| P-856070426 | 95 | As is | in stock |
| P-424951829 | 90 | As is | in stock |
| P-869120456 | 95 | As is | by synthesis |
| P-892289464 | 95 | As is | unavailable |
| P-888635253 | 95 | As is | 146 mg |
| P-907158335 | 94 | As is | by resynthesis (? - ? days) |
| P-855066581 | 90 | As is | in stock |
| P-480919526 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.310 |
| logP | 3.3606 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 50.24 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.388 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| 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 |

