Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8132017980
Compound
Show structure
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-6537319758
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8132017980.sdf |
| SMILES | MCULE-8132017980.smiles |
| Standard InChI | MCULE-8132017980.inchi |
| InChIKey | MCULE-8132017980.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904976554 | 95 | As is | by synthesis |
| P-23117924 | 90 | As is | in stock |
| P-893147206 | N/A | Main component | by synthesis |
| P-867596576 | 98 | Main component | in stock |
| P-875755350 | N/A | Main component | in stock |
| P-590372024 | 98 | Main component | in stock |
| P-903089675 | 98 | Main component | 7 kg |
| P-580237296 | 95 | Main component | by synthesis |
| P-489156649 | 97 | Main component | in stock |
| P-596958412 | 99 | Main component | 3.5 kg |
| P-872728254 | 98 | Main component | in stock |
| P-579785211 | 95 | Main component | by resynthesis (? - ? days) |
| P-864102793 | 98 | Main component | in stock |
| P-901476628 | 95 | Main component | by synthesis |
| P-868606075 | 98 | Main component | in stock |
| P-862010598 | 95 | Main component | 8.49082 kg |
| P-905340648 | 95 | Main component | in stock |
| P-608220554 | 95 | Main component | in stock |
| P-870662355 | 98 | Main component | in stock |
| P-500417724 | 98 | Main component | in stock |
| P-579631466 | 98 | Main component | by resynthesis (? - ? days) |
| P-579617281 | 95 | Main component | unavailable |
| P-31248880 | 90 | Main component | unavailable |
| P-588254514 | N/A | Main component | by synthesis |
| P-852505201 | N/A | Main component | in stock |
| P-854690511 | 95 | Main component | in stock |
| P-608279964 | 98 | Main component | in stock |
| P-500378195 | 98 | Main component | by synthesis |
| P-885519659 | 95 | Main component | by synthesis |
| P-19546812 | 90 | Main component | in stock |
| P-869124201 | 95 | Main component | by synthesis |
| P-892302530 | 95 | Main component | in stock |
| P-888638065 | 95 | Main component | unavailable |
| P-23187498 | 94 | Main component | by resynthesis (? - ? days) |
| P-906777429 | 98 | Main component | by synthesis |
| P-906780519 | 98 | Main component | by synthesis |
| P-611350890 | 90 | Main component | in stock |
| P-3218209 | 90 | Main component | 3.186 g |
| P-1211795 | 90 | Main component | 3.186 g |
| P-893682818 | 95 | Main component | by synthesis |
| P-893938168 | 95 | Main component | in stock |
| P-893135388 | N/A | Main component as a main component | by synthesis |
| P-893136422 | N/A | Main component as a main component | by synthesis |
| P-892939829 | N/A | Main component as a main component | by synthesis |
| P-893137088 | N/A | Main component as a main component | by synthesis |
| P-893137089 | N/A | Main component as a main component | by synthesis |
| P-893136651 | N/A | Main component as a main component | by synthesis |
| P-893136669 | N/A | Main component as a main component | by synthesis |
| P-893137185 | N/A | Main component as a main component | by synthesis |
| P-893135693 | N/A | Main component as a main component | by synthesis |
| P-893135714 | N/A | Main component as a main component | by synthesis |
| P-867586491 | 98 | Main component as a main component | in stock |
| P-867292835 | N/A | Main component as a main component | by synthesis |
| P-612922386 | N/A | Main component as a main component | by synthesis |
| P-867523994 | N/A | Main component as a main component | by synthesis |
| P-875745211 | N/A | Main component as a main component | in stock |
| P-505388619 | 98 | Main component as a main component | in stock |
| P-889055387 | 95 | Main component as a main component | in stock |
| P-590374333 | 95 | Main component as a main component | in stock |
| P-903075470 | 98 | Main component as a main component | 900 g |
| P-905478874 | 96 | Main component as a main component | 10 g |
| P-580241152 | 95 | Main component as a main component | by synthesis |
| P-851943999 | N/A | Main component as a main component | in stock |
| P-489242065 | 97 | Main component as a main component | in stock |
| P-596984162 | 98 | Main component as a main component | 900 g |
| P-864197771 | 95 | Main component as a main component | in stock |
| P-666962621 | 98 | Main component as a main component | 137 g |
| P-893232709 | 95 | Main component as a main component | in stock |
| P-868598153 | 98 | Main component as a main component | in stock |
| P-868617268 | 98 | Main component as a main component | in stock |
| P-889436973 | 98 | Main component as a main component | 986.37 g |
| P-862002112 | 98 | Main component as a main component | 5.03349 kg |
| P-870662353 | 98 | Main component as a main component | in stock |
| P-608220280 | 98 | Main component as a main component | in stock |
| P-870662379 | 98 | Main component as a main component | in stock |
| P-500417726 | 99 | Main component as a main component | in stock |
| P-608220555 | 98 | Main component as a main component | in stock |
| P-870647509 | N/A | Main component as a main component | in stock |
| P-870648139 | 98 | Main component as a main component | in stock |
| P-675446415 | 90 | Main component as a main component | in stock |
| P-890852779 | 90 | Main component as a main component | in stock |
| P-579613224 | 95 | Main component as a main component | unavailable |
| P-856040166 | 90 | Main component as a main component | unavailable |
| P-31258370 | 90 | Main component as a main component | unavailable |
| P-31249821 | 90 | Main component as a main component | unavailable |
| P-31248881 | 90 | Main component as a main component | unavailable |
| P-613276766 | 95 | Main component as a main component | by synthesis |
| P-852444678 | N/A | Main component as a main component | in stock |
| P-872527091 | 95 | Main component as a main component | in stock |
| P-620227091 | 95 | Main component as a main component | 1000 mg |
| P-26461794 | 90 | Main component as a main component | 50 mg |
| P-881190193 | 90 | Main component as a main component | 50 mg |
| P-885542514 | 95 | Main component as a main component | by synthesis |
| P-885550423 | 95 | Main component as a main component | by synthesis |
| P-885550424 | 95 | Main component as a main component | by synthesis |
| P-906777691 | 98 | Main component as a main component | by synthesis |
| P-906783422 | 97 | Main component as a main component | by synthesis |
| P-906776779 | 98 | Main component as a main component | by synthesis |
| P-906776780 | 98 | Main component as a main component | by synthesis |
| P-906775901 | 98 | Main component as a main component | by synthesis |
| P-906773954 | 98 | Main component as a main component | by synthesis |
| P-611350891 | 90 | Main component as a main component | in stock |
| P-611350892 | 90 | Main component as a main component | in stock |
| P-615406119 | 95 | Main component as a main component | in stock |
| P-615433648 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 227.100 |
| logP | 1.886 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 89.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.1816 |
| Atoms | 26 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
