MCULE-3093035289
- 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 | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3093035289.sdf |
| SMILES | MCULE-3093035289.smiles |
| Standard InChI | MCULE-3093035289.inchi |
| InChIKey | MCULE-3093035289.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559171 | 98 | As is | in stock |
| P-875718897 | 98 | As is | in stock |
| P-890256908 | 97 | As is | by synthesis |
| P-590404360 | 95 | As is | by resynthesis (? - ? days) |
| P-903048081 | 98 | As is | 100 g |
| P-905478628 | 98 | As is | 10 g |
| P-1270301466 | 98 | As is | in stock |
| P-580242574 | 95 | As is | by synthesis |
| P-893302325 | 95 | As is | in stock |
| P-606911948 | N/A | As is | in stock |
| P-489241157 | 97 | As is | in stock |
| P-596944563 | 97 | As is | 400 g |
| P-589662069 | 95 | As is | by resynthesis (? - ? days) |
| P-864102446 | 95 | As is | in stock |
| P-580733403 | 98 | As is | 312.25 g |
| P-851278960 | 95 | As is | by synthesis |
| P-868647653 | 98 | As is | in stock |
| P-580287598 | N/A | As is | by resynthesis (? - ? days) |
| P-905345626 | 97 | As is | 55 g |
| P-862028020 | 97 | As is | 562.463 g |
| P-505545391 | 95 | As is | in stock |
| P-454323399 | 90 | As is | unavailable |
| P-579637525 | 95 | As is | by resynthesis (? - ? days) |
| P-580500097 | 97 | As is | by synthesis |
| P-1272592289 | 95 | As is | 400 g |
| P-852488866 | 95 | As is | by synthesis |
| P-854725133 | 95 | As is | in stock |
| P-888904352 | N/A | As is | in stock |
| P-896077526 | N/A | As is | 640 mg |
| P-596768730 | 98 | As is | 788.1 g |
| P-906783981 | 98 | As is | by synthesis |
| P-611455721 | 90 | As is | in stock |
| P-615385883 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.177 |
| logP | 1.4217 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 65.21 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.7279 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

