MCULE-7199074602-0
- 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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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-7199074602-0.sdf |
| SMILES | MCULE-7199074602-0.smiles |
| Standard InChI | MCULE-7199074602-0.inchi |
| InChIKey | MCULE-7199074602-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867550817 | 98 | As is | in stock |
| P-875708313 | N/A | As is | in stock |
| P-590409997 | 98 | As is | in stock |
| P-903034355 | 98 | As is | 1000 g |
| P-580232852 | 95 | As is | by synthesis |
| P-851927366 | N/A | As is | in stock |
| P-489179076 | 97 | As is | in stock |
| P-596982070 | 98 | As is | 900 g |
| P-864088564 | 97 | As is | in stock |
| P-893228739 | 95 | As is | in stock |
| P-9737484 | 90 | As is | unavailable |
| P-861978147 | 98 | As is | 999.135 g |
| P-905314890 | 98 | As is | 15 g |
| P-503036965 | 90 | As is | by synthesis |
| P-502638926 | 90 | As is | in stock |
| P-12721323 | 95 | As is | 300 mg |
| P-563460966 | 97 | As is | 25 g |
| P-31189705 | 90 | As is | unavailable |
| P-35205653 | 90 | As is | 1.541 kg |
| P-902969490 | 95 | As is | in stock |
| P-864654840 | 92 | As is | 300 mg |
| P-885546476 | 95 | As is | by synthesis |
| P-424878282 | 90 | As is | in stock |
| P-12282578 | 90 | As is | 4.826 g |
| P-22450205 | 90 | As is | 178 mg |
| P-906761450 | 98 | As is | by synthesis |
| P-611379187 | 90 | As is | in stock |
| P-2215831 | 90 | As is | 659 mg |
| P-666973680 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.337 |
| logP | 4.9638 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 90.41 |
| Atoms | 36 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

