MCULE-9046200792
- 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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 11 USD | 98 | 22 working days | Get Quote |
| 10 mg | 11 USD | 98 | 22 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.
-
1
MCULE-4776804794
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9046200792.sdf |
| SMILES | MCULE-9046200792.smiles |
| Standard InChI | MCULE-9046200792.inchi |
| InChIKey | MCULE-9046200792.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867329388 | 95 | As is | by synthesis |
| P-889980287 | 95 | As is | by synthesis |
| P-869227987 | 95 | As is | in stock |
| P-903244983 | 95 | As is | 500 mg |
| P-851574375 | N/A | As is | by synthesis |
| P-892496536 | 90 | As is | 1000 mg |
| P-889807475 | 95 | As is | by synthesis |
| P-591172404 | 95 | As is | by synthesis |
| P-901491950 | 95 | As is | by synthesis |
| P-852402315 | N/A | As is | in stock |
| P-854848501 | 95 | As is | by synthesis |
| P-873214559 | 90 | As is | in stock |
| P-611598442 | 90 | As is | in stock |
| P-893750511 | 95 | As is | by synthesis |
| P-867595372 | 98 | Main component | in stock |
| P-875754150 | 98 | Main component | in stock |
| P-590387141 | 95 | Main component | in stock |
| P-903087484 | 98 | Main component | 10 g |
| P-893579043 | 90 | Main component | 37.23 g |
| P-901164629 | 98 | Main component | in stock |
| P-606907790 | N/A | Main component | in stock |
| P-619152564 | 98 | Main component | 10 g |
| P-589661939 | 95 | Main component | by resynthesis (? - ? days) |
| P-596496640 | 90 | Main component | unavailable |
| P-864191992 | 95 | Main component | in stock |
| P-605424094 | 98 | Main component | 1.35 g |
| P-901425477 | 95 | Main component | by synthesis |
| P-892178843 | 95 | Main component | by synthesis |
| P-868649573 | 98 | Main component | in stock |
| P-861974067 | 98 | Main component | 175 g |
| P-890215200 | 90 | Main component | 1000 mg |
| P-590337633 | 90 | Main component | 1000 mg |
| P-900955563 | 95 | Main component | in stock |
| P-855927236 | 97 | Main component | 1000 mg |
| P-863711172 | 95 | Main component | in stock |
| P-888902651 | N/A | Main component | in stock |
| P-856065097 | 95 | Main component | in stock |
| P-611400748 | 90 | Main component | in stock |
| P-615404956 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 208.039 |
| logP | 3.0341 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 44.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.8844 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

