MCULE-9379026643
- 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 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 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-5348245012
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9379026643.sdf |
| SMILES | MCULE-9379026643.smiles |
| Standard InChI | MCULE-9379026643.inchi |
| InChIKey | MCULE-9379026643.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1273245779 | 95 | As is | 885 g |
| P-1275481576 | 95 | As is | in stock |
| P-1274905627 | 95 | As is | by synthesis |
| P-1273130363 | 98 | As is | 15 g |
| P-1272506561 | 95 | As is | in stock |
| P-867581807 | 98 | Main component | in stock |
| P-875741127 | 98 | Main component | in stock |
| P-1275190576 | 98 | Main component | in stock |
| P-1275184560 | 95 | Main component | in stock |
| P-903071424 | 98 | Main component | 702 g |
| P-905481712 | 98 | Main component | 100 g |
| P-901164122 | 97 | Main component | in stock |
| P-1270284140 | 98 | Main component | in stock |
| P-580268697 | 95 | Main component | by synthesis |
| P-606921018 | N/A | Main component | in stock |
| P-489186352 | 97 | Main component | in stock |
| P-596952977 | 98 | Main component | 702 g |
| P-494320387 | 95 | Main component | 962.38 g |
| P-864096119 | 98 | Main component | in stock |
| P-889740861 | 95 | Main component | 10 g |
| P-584627799 | 98 | Main component | 506 g |
| P-34859085 | 90 | Main component | in stock |
| P-851260480 | 95 | Main component | by synthesis |
| P-868579548 | 98 | Main component | in stock |
| P-580420445 | 95 | Main component | by resynthesis (? - ? days) |
| P-905327894 | 96 | Main component | 857 g |
| P-861918872 | 96 | Main component | 584.736 g |
| P-870657507 | N/A | Main component | in stock |
| P-505518839 | 95 | Main component | in stock |
| P-454298058 | 90 | Main component | 299 mg |
| P-608080729 | 98 | Main component | in stock |
| P-31178453 | 90 | Main component | 500 mg |
| P-580514780 | N/A | Main component | in stock |
| P-1272561340 | 97 | Main component | 75 g |
| P-852376787 | 97 | Main component | by synthesis |
| P-500401042 | 98 | Main component | by synthesis |
| P-885548713 | 95 | Main component | by synthesis |
| P-596772080 | 98 | Main component | 719.9 g |
| P-502371440 | 90 | Main component | in stock |
| P-888439050 | 94 | Main component | by resynthesis (? - ? days) |
| P-906776992 | 98 | Main component | by synthesis |
| P-611369460 | 90 | Main component | in stock |
| P-1271635790 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 230.091 |
| logP | 1.208 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 36.419 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 3 |
| Heteroatoms | 7 |
| N/O atoms | 2 |
| Inorganic atoms | 1 |
| Halogen atoms | 4 |
| 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 |

