MCULE-6162581938
- 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 | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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-6162581938.sdf |
| SMILES | MCULE-6162581938.smiles |
| Standard InChI | MCULE-6162581938.inchi |
| InChIKey | MCULE-6162581938.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634601 | 97 | As is | in stock |
| P-875798667 | N/A | As is | in stock |
| P-597025048 | 95 | As is | in stock |
| P-590392233 | 97 | As is | in stock |
| P-903154071 | 98 | As is | 100 g |
| P-893570935 | 90 | As is | 101 g |
| P-580243799 | 95 | As is | by synthesis |
| P-606869487 | N/A | As is | in stock |
| P-489209581 | 97 | As is | in stock |
| P-596967125 | 98 | As is | 100 g |
| P-589658570 | 95 | As is | by resynthesis (? - ? days) |
| P-596513918 | 90 | As is | 1000 mg |
| P-596391824 | 90 | As is | 1000 mg |
| P-864103180 | 95 | As is | in stock |
| P-580700162 | 97 | As is | 6 g |
| P-454635399 | 90 | As is | in stock |
| P-436469292 | 95 | As is | in stock |
| P-851272700 | 95 | As is | by synthesis |
| P-868592277 | 97 | As is | in stock |
| P-580391770 | N/A | As is | by resynthesis (? - ? days) |
| P-861965238 | 98 | As is | 100 g |
| P-890218871 | 90 | As is | 25 g |
| P-590341310 | 90 | As is | 25 g |
| P-502548146 | 95 | As is | by synthesis |
| P-524187070 | 97 | As is | 10 g |
| P-888159671 | 95 | As is | by synthesis |
| P-852386148 | N/A | As is | in stock |
| P-895222229 | 95 | As is | in stock |
| P-620055555 | 90 | As is | 1000 mg |
| P-620222262 | 95 | As is | 1000 mg |
| P-859995163 | 95 | As is | by synthesis |
| P-424839300 | 90 | As is | in stock |
| P-873284566 | N/A | As is | in stock |
| P-596744477 | 97 | As is | 7.5 g |
| P-502334058 | 90 | As is | in stock |
| P-22517876 | 90 | As is | 1000 mg |
| P-611565938 | 90 | As is | in stock |
| P-2998051 | 90 | As is | unavailable |
| P-893988027 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 149.617 |
| logP | 1.5324 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 38.7537 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

