MCULE-9966307050
- 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 | 21 USD | 95 | 12 working days | Get Quote |
| 5 mg | 21 USD | 95 | 12 working days | Get Quote |
| 10 mg | 21 USD | 95 | 12 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-7734465675
- Component type: Main
-
1
MCULE-5932450224
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9966307050.sdf |
| SMILES | MCULE-9966307050.smiles |
| Standard InChI | MCULE-9966307050.inchi |
| InChIKey | MCULE-9966307050.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-856082193 | 98 | As is | by resynthesis (? - ? days) |
| P-855350503 | 90 | As is | in stock |
| P-867555543 | 98 | Main component | in stock |
| P-875714584 | N/A | Main component | in stock |
| P-505388386 | 98 | Main component | in stock |
| P-505389178 | 98 | Main component | in stock |
| P-903041838 | 95 | Main component | 10 g |
| P-901166477 | 98 | Main component | in stock |
| P-489143710 | 97 | Main component | in stock |
| P-579788002 | 95 | Main component | 97.2 g |
| P-864138496 | 95 | Main component | in stock |
| P-893226992 | 95 | Main component | in stock |
| P-580417691 | 95 | Main component | by resynthesis (? - ? days) |
| P-889116767 | 95 | Main component | 5 g |
| P-862047358 | 95 | Main component | 4.36997 kg |
| P-608220226 | 95 | Main component | in stock |
| P-502446267 | 95 | Main component | by synthesis |
| P-502767621 | 90 | Main component | in stock |
| P-492221085 | 95 | Main component | in stock |
| P-524444354 | 97 | Main component | 3.913 g |
| P-899992111 | 95 | Main component | by synthesis |
| P-584617897 | 95 | Main component | in stock |
| P-878647106 | 98 | Main component | in stock |
| P-492277004 | 90 | Main component | 925 mg |
| P-12417344 | 90 | Main component | 925 mg |
| P-500399485 | 95 | Main component | by synthesis |
| P-885533542 | 95 | Main component | by synthesis |
| P-596766148 | 95 | Main component | 7.40194 kg |
| P-869125992 | 95 | Main component | by synthesis |
| P-892290851 | 95 | Main component | 502 mg |
| P-888639451 | 95 | Main component | 502 mg |
| P-23334791 | 90 | Main component | in stock |
| P-502328778 | 90 | Main component | in stock |
| P-907277258 | 94 | Main component | by resynthesis (? - ? days) |
| P-611523677 | 90 | Main component | in stock |
| P-860632515 | N/A | Main component as a main component | by synthesis |
| P-901429519 | 95 | Main component as a main component | by synthesis |
| P-855227934 | 90 | Main component as a main component | in stock |
| P-855355863 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 259.124 |
| logP | 1.3655 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 49.36 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.971 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 5 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 2 |
| 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 |

