MCULE-8752609733-1
- 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 | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 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-2795129925-0
- Component type: Main
-
1
MCULE-5646000632-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8752609733-1.sdf |
| SMILES | MCULE-8752609733-1.smiles |
| Standard InChI | MCULE-8752609733-1.inchi |
| InChIKey | MCULE-8752609733-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-894654740 | 98 | As is | by resynthesis (? - ? days) |
| P-867565276 | 98 | Main component | in stock |
| P-875724841 | 98 | Main component | in stock |
| P-1275179056 | 99 | Main component | in stock |
| P-1275142832 | 98 | Main component | in stock |
| P-872725740 | 98 | Main component | in stock |
| P-903054143 | 99 | Main component | 2.1 kg |
| P-1264054212 | 99 | Main component | in stock |
| P-893592392 | 90 | Main component | 655 mg |
| P-606883609 | N/A | Main component | in stock |
| P-596946831 | 99 | Main component | 2 kg |
| P-1275495033 | 95 | Main component | 24 g |
| P-1273245950 | 95 | Main component | 3.2 kg |
| P-901455250 | 95 | Main component | by synthesis |
| P-452660391 | 98 | Main component | in stock |
| P-868611459 | 98 | Main component | in stock |
| P-579481237 | 95 | Main component | in stock |
| P-862121726 | 98 | Main component | 82.756 kg |
| P-608220534 | 98 | Main component | in stock |
| P-505503642 | 95 | Main component | in stock |
| P-580005024 | 95 | Main component | in stock |
| P-580035431 | 90 | Main component | in stock |
| P-1275309370 | 90 | Main component | 7 mg |
| P-856040650 | 90 | Main component | 10 g |
| P-31273943 | 90 | Main component | 10 g |
| P-613276200 | 95 | Main component | by synthesis |
| P-862531533 | N/A | Main component | by synthesis |
| P-1279071084 | N/A | Main component | by synthesis |
| P-901840395 | 95 | Main component | in stock |
| P-854690936 | 95 | Main component | in stock |
| P-608279153 | 98 | Main component | in stock |
| P-621859317 | 90 | Main component | by synthesis |
| P-620224761 | 95 | Main component | 1000 mg |
| P-26434184 | 90 | Main component | 1000 mg |
| P-888897407 | N/A | Main component | in stock |
| P-885537066 | 95 | Main component | by synthesis |
| P-579712067 | 98 | Main component | in stock |
| P-869178083 | 95 | Main component | in stock |
| P-525185524 | 95 | Main component | 1000 mg |
| P-892297986 | 95 | Main component | 1000 mg |
| P-892346008 | 95 | Main component | 1000 mg |
| P-502368113 | 90 | Main component | in stock |
| P-1272895487 | 94 | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 217.348 |
| logP | 4.3158 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.2969 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 27 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

