MCULE-3404685101
- 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 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 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-1286782468
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3404685101.sdf |
| SMILES | MCULE-3404685101.smiles |
| Standard InChI | MCULE-3404685101.inchi |
| InChIKey | MCULE-3404685101.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570266 | 98 | As is | in stock |
| P-1275144114 | 95 | As is | in stock |
| P-1275191990 | 98 | As is | in stock |
| P-893590731 | 90 | As is | 32.927 g |
| P-1270351123 | 98 | As is | in stock |
| P-887311559 | N/A | As is | in stock |
| P-619129239 | 97 | As is | 2 g |
| P-1273381793 | 95 | As is | by resynthesis (? - ? days) |
| P-864199290 | 95 | As is | in stock |
| P-901413174 | 95 | As is | in stock |
| P-1273134553 | 98 | As is | 2 g |
| P-890849682 | 95 | As is | in stock |
| P-524167852 | 98 | As is | 100 mg |
| P-500409198 | 98 | As is | by synthesis |
| P-892255450 | 95 | As is | 1000 mg |
| P-892339748 | 95 | As is | 1000 mg |
| P-855041455 | 90 | As is | in stock |
| P-855019758 | 90 | As is | in stock |
| P-867659418 | 99 | Main component | in stock |
| P-867307742 | 95 | Main component | by synthesis |
| P-1275153211 | 95 | Main component | in stock |
| P-1275177300 | 98 | Main component | in stock |
| P-1275180726 | 99 | Main component | in stock |
| P-580194893 | 98 | Main component | in stock |
| P-907502999 | 90 | Main component | by synthesis |
| P-1270287543 | 99 | Main component | in stock |
| P-606936304 | N/A | Main component | in stock |
| P-596971808 | 98 | Main component | 1.7 kg |
| P-579787956 | 95 | Main component | 450 mg |
| P-1273457374 | 95 | Main component | by resynthesis (? - ? days) |
| P-864110762 | 98 | Main component | in stock |
| P-893219263 | 95 | Main component | in stock |
| P-893231167 | 95 | Main component | in stock |
| P-901414471 | 95 | Main component | in stock |
| P-870130031 | 90 | Main component | 3 mg |
| P-861976322 | 98 | Main component | 1.6 kg |
| P-889117770 | 98 | Main component | 1.75 g |
| P-870662319 | 98 | Main component | in stock |
| P-505519036 | 95 | Main component | in stock |
| P-870580101 | 95 | Main component | in stock |
| P-580044647 | 90 | Main component | in stock |
| P-488545325 | 90 | Main component | in stock |
| P-427909997 | 92 | Main component | 300 mg |
| P-856009591 | 97 | Main component | 976 mg |
| P-580477011 | N/A | Main component | by synthesis |
| P-620221095 | 95 | Main component | 500 mg |
| P-674828793 | 90 | Main component | 500 mg |
| P-454365576 | 92 | Main component | in stock |
| P-445353247 | 92 | Main component | 300 mg |
| P-500392586 | 98 | Main component | by synthesis |
| P-856072661 | 95 | Main component | in stock |
| P-579268663 | 90 | Main component | in stock |
| P-579710990 | 98 | Main component | in stock |
| P-869175699 | 95 | Main component | in stock |
| P-892221191 | 95 | Main component | 1.1 g |
| P-892288340 | 95 | Main component | 1.1 g |
| P-892315376 | 95 | Main component | 1.1 g |
| P-873222255 | 90 | Main component | in stock |
| P-33162328 | 90 | Main component | 157 mg |
| P-1272906261 | 94 | Main component | by resynthesis (? - ? days) |
| P-611425653 | 90 | Main component | in stock |
| P-611358102 | 90 | Main component | in stock |
| P-855028699 | 90 | Main component | in stock |
| P-855028703 | 90 | Main component | in stock |
| P-424727349 | 90 | Main component | 125 mg |
| P-575314186 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 342.318 |
| logP | 1.3985 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 95.89 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 82.411 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

