MCULE-2335369646-0
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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.
-
1
MCULE-4486074793-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2335369646-0.sdf |
| SMILES | MCULE-2335369646-0.smiles |
| Standard InChI | MCULE-2335369646-0.inchi |
| InChIKey | MCULE-2335369646-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875771550 | N/A | As is | in stock |
| P-903111985 | 97 | As is | 240 g |
| P-606886124 | N/A | As is | in stock |
| P-596962676 | 98 | As is | 239.75 g |
| P-872728017 | 98 | As is | in stock |
| P-889783249 | 95 | As is | in stock |
| P-580710108 | 97 | As is | 722.25 g |
| P-893219208 | 95 | As is | in stock |
| P-893232645 | 95 | As is | in stock |
| P-851247458 | 95 | As is | by synthesis |
| P-868591555 | 98 | As is | in stock |
| P-579804853 | 90 | As is | in stock |
| P-580089747 | 95 | As is | 5.63 g |
| P-870652636 | N/A | As is | in stock |
| P-870569122 | 90 | As is | in stock |
| P-870580354 | 95 | As is | in stock |
| P-488555494 | 92 | As is | in stock |
| P-524443039 | 97 | As is | 1.015 g |
| P-579635610 | 95 | As is | by resynthesis (? - ? days) |
| P-852522521 | N/A | As is | in stock |
| P-902988738 | 95 | As is | by synthesis |
| P-854719550 | 95 | As is | in stock |
| P-474024600 | 95 | As is | in stock |
| P-617666227 | 90 | As is | 5.63 g |
| P-620221414 | 95 | As is | 5.63 g |
| P-500371910 | 98 | As is | by synthesis |
| P-885540953 | 95 | As is | by synthesis |
| P-617402873 | N/A | As is | in stock |
| P-869107892 | 95 | As is | by synthesis |
| P-892286480 | 95 | As is | unavailable |
| P-888626917 | 95 | As is | 4.407 g |
| P-906779299 | 99 | As is | by synthesis |
| P-611419249 | 90 | As is | in stock |
| P-617783937 | 90 | As is | 1.005 g |
| P-617715978 | 90 | As is | 1.005 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 268.283 |
| logP | 1.4517 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 57.2 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.9385 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

