MCULE-6842149366
- 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 | 38 USD | 98 | 14 working days | Get Quote |
| 5 mg | 38 USD | 98 | 14 working days | Get Quote |
| 10 mg | 38 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.
-
MCULE-7224098581
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6842149366.sdf |
| SMILES | MCULE-6842149366.smiles |
| Standard InChI | MCULE-6842149366.inchi |
| InChIKey | MCULE-6842149366.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886539880 | 98 | As is | in stock |
| P-890142718 | 98 | As is | in stock |
| P-590384674 | 95 | As is | by resynthesis (? - ? days) |
| P-903046075 | 98 | As is | 10 g |
| P-893616093 | 90 | As is | 7.36 g |
| P-1270304142 | 98 | As is | in stock |
| P-851570141 | N/A | As is | by synthesis |
| P-888814587 | 98 | As is | 2 g |
| P-1273278307 | 95 | As is | by resynthesis (? - ? days) |
| P-864210461 | 95 | As is | in stock |
| P-591013250 | 98 | As is | by synthesis |
| P-901564679 | 95 | As is | by synthesis |
| P-666931499 | 90 | As is | 5 mg |
| P-15153238 | 90 | As is | 8 mg |
| P-336580 | 90 | As is | 89 mg |
| P-868647854 | 98 | As is | in stock |
| P-34728414 | 90 | As is | by synthesis |
| P-905432865 | 98 | As is | 2.86 g |
| P-492220034 | 95 | As is | in stock |
| P-454381833 | 95 | As is | 6.083 g |
| P-18744169 | 95 | As is | 6.083 g |
| P-895227195 | 95 | As is | in stock |
| P-596854264 | 95 | As is | by synthesis |
| P-24064802 | 90 | As is | in stock |
| P-33493346 | 90 | As is | in stock |
| P-502354540 | 90 | As is | in stock |
| P-875277071 | 90 | As is | 5 mg |
| P-906812607 | 98 | As is | by synthesis |
| P-611485314 | 90 | As is | in stock |
| P-2375503 | 90 | As is | 79 mg |
| P-1271666809 | 98 | As is | in stock |
| P-886832725 | 95 | As a main component | in stock |
| P-890106148 | 95 | As a main component | by synthesis |
| P-903442118 | 95 | As a main component | 5 g |
| P-904768064 | N/A | As a main component | by synthesis |
| P-889802099 | 95 | As a main component | by synthesis |
| P-905592382 | 95 | As a main component | by synthesis |
| P-893834183 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 312.388 |
| logP | 4.6577 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 85.61 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 90.3744 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

