MCULE-6526627804
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 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-6526627804.sdf |
| SMILES | MCULE-6526627804.smiles |
| Standard InChI | MCULE-6526627804.inchi |
| InChIKey | MCULE-6526627804.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597023421 | 96 | As is | unavailable |
| P-597020915 | 97 | As is | unavailable |
| P-903010962 | 98 | As is | 10 kg |
| P-905479301 | 98 | As is | 1000 g |
| P-617060756 | 98 | As is | in stock |
| P-489174109 | 97 | As is | in stock |
| P-481174439 | 95 | As is | 250 g |
| P-505576569 | 98 | As is | in stock |
| P-851281619 | 95 | As is | by synthesis |
| P-868577609 | 98 | As is | in stock |
| P-905332834 | 95 | As is | 790 g |
| P-901368706 | 95 | As is | 271.5 g |
| P-861962941 | 95 | As is | 38.0032 kg |
| P-579611199 | 98 | As is | in stock |
| P-892857685 | 98 | As an isomer | in stock |
| P-901261610 | 98 | As an isomer | in stock |
| P-902996201 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-903100337 | 98 | As an isomer | 10 g |
| P-895095780 | 98 | As an isomer | 10 g |
| P-1273446756 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-454659702 | 90 | As an isomer | in stock |
| P-448836476 | 90 | As an isomer | 835 mg |
| P-578290507 | 90 | As an isomer | in stock |
| P-580393430 | N/A | As an isomer | by resynthesis (? - ? days) |
| P-505627273 | 95 | As an isomer | in stock |
| P-1264366121 | 98 | As an isomer | 2 g |
| P-889422757 | 98 | As an isomer | 24.072 g |
| P-870655324 | 99 | As an isomer | in stock |
| P-870655940 | N/A | As an isomer | in stock |
| P-563665682 | 95 | As an isomer | 50 mg |
| P-524184817 | 98 | As an isomer | 25 g |
| P-454391541 | 95 | As an isomer | 623 mg |
| P-454297009 | 95 | As an isomer | 623 mg |
| P-588717530 | 98 | As an isomer | 100 mg |
| P-31175614 | 90 | As an isomer | 500 mg |
| P-860793662 | N/A | As an isomer | by synthesis |
| P-895227124 | 95 | As an isomer | in stock |
| P-492280939 | 95 | As an isomer | 1.543 g |
| P-26441027 | 90 | As an isomer | 1.543 g |
| P-885544360 | 95 | As an isomer | by synthesis |
| P-33715666 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-906780422 | 98 | As an isomer | by synthesis |
| P-906752572 | 98 | As an isomer | by synthesis |
| P-906892777 | 98 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.199 |
| logP | 1.6663 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.1057 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

