MCULE-3271564015
- 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 | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 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.
| Name | File |
|---|---|
| SDF | MCULE-3271564015.sdf |
| SMILES | MCULE-3271564015.smiles |
| Standard InChI | MCULE-3271564015.inchi |
| InChIKey | MCULE-3271564015.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867592540 | 98 | As is | in stock |
| P-875750783 | N/A | As is | in stock |
| P-590393722 | N/A | As is | in stock |
| P-903083094 | 98 | As is | 55 g |
| P-893512091 | 90 | As is | 149.255 g |
| P-901166279 | 98 | As is | in stock |
| P-580241774 | 95 | As is | by synthesis |
| P-606940104 | N/A | As is | in stock |
| P-489209265 | 97 | As is | in stock |
| P-596956148 | 98 | As is | 35 g |
| P-864103290 | 95 | As is | in stock |
| P-580724685 | 98 | As is | 6.1 g |
| P-492266686 | 95 | As is | in stock |
| P-504706874 | 85 | As is | 5 mg |
| P-454684282 | 90 | As is | in stock |
| P-584577037 | 90 | As is | 18 mg |
| P-436442967 | 90 | As is | 89 g |
| P-273635 | 90 | As is | 875 mg |
| P-851281677 | 95 | As is | by synthesis |
| P-868594723 | 97 | As is | in stock |
| P-34742948 | 90 | As is | by synthesis |
| P-580787655 | 90 | As is | by resynthesis (? - ? days) |
| P-580431333 | 95 | As is | by resynthesis (? - ? days) |
| P-905335825 | 97 | As is | 1.25 g |
| P-861982710 | 97 | As is | 55.356 g |
| P-890213834 | 90 | As is | in stock |
| P-590336254 | 90 | As is | 1000 mg |
| P-454314770 | 97 | As is | 100 mg |
| P-454399833 | 97 | As is | 5 g |
| P-856090277 | 95 | As is | 50 g |
| P-31148234 | 90 | As is | 30 mg |
| P-580509465 | N/A | As is | by synthesis |
| P-852442450 | N/A | As is | in stock |
| P-519751128 | 97 | As is | 9.5 g |
| P-428012022 | 97 | As is | 9.5 kg |
| P-854733356 | 95 | As is | in stock |
| P-492282366 | 97 | As is | 450 mg |
| P-26458049 | 90 | As is | 450 mg |
| P-888904766 | N/A | As is | in stock |
| P-596797158 | 95 | As is | by synthesis |
| P-24071826 | 90 | As is | in stock |
| P-596793113 | 98 | As is | 12.7 g |
| P-502328368 | 90 | As is | in stock |
| P-22496268 | 90 | As is | 1000 mg |
| P-611389638 | 90 | As is | in stock |
| P-2137283 | 90 | As is | 121 mg |
| P-893937998 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 114.060 |
| logP | -0.2322 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 76.22 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 21.2573 |
| Atoms | 10 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 2 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

