Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8409992127-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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.
-
1
MCULE-3752198299-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8409992127-0.sdf |
| SMILES | MCULE-8409992127-0.smiles |
| Standard InChI | MCULE-8409992127-0.inchi |
| InChIKey | MCULE-8409992127-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851899024 | N/A | As is | by synthesis |
| P-896041940 | 95 | As is | by synthesis |
| P-674399752 | 97 | As is | by synthesis |
| P-895284485 | 95 | As is | by synthesis |
| P-1271438914 | 97 | As is | by synthesis |
| P-867565844 | 97 | Main component | in stock |
| P-875725543 | 97 | Main component | in stock |
| P-874617907 | 97 | Main component | by resynthesis (? - ? days) |
| P-903054482 | 97 | Main component | 10 kg |
| P-1270297677 | 97 | Main component | in stock |
| P-1263079517 | N/A | Main component | in stock |
| P-868827063 | 98 | Main component | 16.71 g |
| P-619855485 | 90 | Main component | 20.585 g |
| P-675052821 | 90 | Main component | in stock |
| P-903004453 | 98 | Main component | in stock |
| P-34459545 | 90 | Main component | by synthesis |
| P-580287077 | N/A | Main component | by resynthesis (? - ? days) |
| P-889300197 | 98 | Main component | 10 kg |
| P-870661661 | 99 | Main component | in stock |
| P-502947718 | 90 | Main component | in stock |
| P-488550994 | 90 | Main component | in stock |
| P-878215584 | 95 | Main component | 100 mg |
| P-856078303 | 95 | Main component | in stock |
| P-854807572 | 95 | Main component | by synthesis |
| P-620223205 | 95 | Main component | 1000 mg |
| P-620068067 | 90 | Main component | 1000 mg |
| P-888885007 | N/A | Main component | in stock |
| P-454369236 | 92 | Main component | in stock |
| P-904100139 | 97 | Main component | 22.5 g |
| P-903957403 | 94 | Main component | by resynthesis (? - ? days) |
| P-611490835 | 90 | Main component | in stock |
| P-3229999 | 90 | Main component | 4.591 g |
| P-1144623 | 90 | Main component | 4.591 g |
| P-893947197 | 97 | Main component | in stock |
| P-867634059 | 95 | Main component as a main component | in stock |
| P-875798892 | 95 | Main component as a main component | in stock |
| P-1275200671 | 98 | Main component as a main component | in stock |
| P-1275156685 | 95 | Main component as a main component | in stock |
| P-903153754 | 98 | Main component as a main component | 1.4 kg |
| P-905492195 | 97 | Main component as a main component | 10 g |
| P-866098418 | 95 | Main component as a main component | 270 g |
| P-489181628 | 97 | Main component as a main component | in stock |
| P-865920544 | 95 | Main component as a main component | 1.5 kg |
| P-494346808 | 95 | Main component as a main component | 211.25 g |
| P-864130706 | 95 | Main component as a main component | in stock |
| P-893258201 | 95 | Main component as a main component | by synthesis |
| P-617648816 | 90 | Main component as a main component | in stock |
| P-868593967 | 98 | Main component as a main component | in stock |
| P-862045256 | 97 | Main component as a main component | 2.22834 kg |
| P-905348071 | 97 | Main component as a main component | 180 g |
| P-900956925 | 95 | Main component as a main component | in stock |
| P-524169526 | 98 | Main component as a main component | 5 g |
| P-855993614 | 98 | Main component as a main component | 100 mg |
| P-580477196 | N/A | Main component as a main component | by synthesis |
| P-852500377 | 95 | Main component as a main component | by synthesis |
| P-519757134 | 95 | Main component as a main component | in stock |
| P-428041288 | 95 | Main component as a main component | in stock |
| P-855400559 | 95 | Main component as a main component | in stock |
| P-889867684 | 95 | Main component as a main component | by synthesis |
| P-502401641 | 90 | Main component as a main component | in stock |
| P-22472641 | 90 | Main component as a main component | 100 mg |
| P-611490802 | 90 | Main component as a main component | in stock |
| P-1271639764 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 126.610 |
| logP | 1.8449 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 75.17 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.5821 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
