MCULE-7749854982
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-7749854982.sdf |
| SMILES | MCULE-7749854982.smiles |
| Standard InChI | MCULE-7749854982.inchi |
| InChIKey | MCULE-7749854982.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867613705 | 98 | As is | in stock |
| P-875774244 | 98 | As is | in stock |
| P-505346758 | 95 | As is | by resynthesis (? - ? days) |
| P-903114934 | 98 | As is | 25 g |
| P-610984065 | 90 | As is | 226.431 g |
| P-1270276942 | 98 | As is | in stock |
| P-580201197 | 95 | As is | 250 mg |
| P-617050059 | 95 | As is | by resynthesis (? - ? days) |
| P-606893480 | N/A | As is | in stock |
| P-489143584 | 97 | As is | in stock |
| P-596963208 | 97 | As is | 50 g |
| P-494467301 | 95 | As is | by resynthesis (? - ? days) |
| P-864134633 | 95 | As is | in stock |
| P-580702259 | 98 | As is | 6.45 g |
| P-505606437 | 95 | As is | by synthesis |
| P-851337335 | 95 | As is | by synthesis |
| P-868620240 | 95 | As is | in stock |
| P-580421333 | 95 | As is | by resynthesis (? - ? days) |
| P-1264348762 | 97 | As is | 11 g |
| P-505535275 | 95 | As is | in stock |
| P-454402394 | 97 | As is | 7.906 g |
| P-596546832 | 97 | As is | 7.906 g |
| P-860795349 | N/A | As is | by synthesis |
| P-1272590978 | 97 | As is | 5 g |
| P-852484472 | 97 | As is | by synthesis |
| P-854743963 | 95 | As is | in stock |
| P-500409086 | 98 | As is | by synthesis |
| P-885548087 | 95 | As is | by synthesis |
| P-596791260 | 98 | As is | 22.7 g |
| P-873224308 | 90 | As is | in stock |
| P-906900279 | 98 | As is | in stock |
| P-906847013 | 95 | As is | by synthesis |
| P-906847028 | 95 | As is | by synthesis |
| P-906750718 | 98 | As is | by synthesis |
| P-611371933 | 90 | As is | in stock |
| P-615654207 | 95 | As is | unavailable |
| P-1271648217 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.153 |
| logP | 2.4536 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 76.22 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.6953 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 5 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |

