MCULE-3859614034
- 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 | N/A | 9 working days | Get Quote |
| 5 mg | 11 USD | N/A | 9 working days | Get Quote |
| 10 mg | 11 USD | N/A | 9 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-6572487779
- Component type: Counter Ion
-
1
MCULE-1152750770
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3859614034.sdf |
| SMILES | MCULE-3859614034.smiles |
| Standard InChI | MCULE-3859614034.inchi |
| InChIKey | MCULE-3859614034.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872839104 | 98 | As is | in stock |
| P-875867617 | 98 | As is | in stock |
| P-1275173611 | 98 | As is | in stock |
| P-903338568 | 98 | As is | 20 g |
| P-893569884 | 90 | As is | 128 g |
| P-1270350326 | 98 | As is | in stock |
| P-872713058 | N/A | As is | in stock |
| P-868835729 | 97 | As is | 66 g |
| P-1273283598 | 95 | As is | by resynthesis (? - ? days) |
| P-889590060 | 95 | As is | in stock |
| P-871193336 | 98 | As is | by synthesis |
| P-901648847 | 97 | As is | in stock |
| P-1273131277 | 98 | As is | 37 g |
| P-1275087579 | 97 | As is | 10 g |
| P-1279663135 | N/A | As is | in stock |
| P-1279067693 | N/A | As is | by synthesis |
| P-1272511642 | 95 | As is | in stock |
| P-873281210 | N/A | As is | in stock |
| P-906769175 | 98 | As is | by synthesis |
| P-1279208355 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 155.179 |
| logP | 0.9237 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 0 |
| PSA | 138.64 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 33.3833 |
| Atoms | 18 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 9 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

