Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8178526519
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 | 6 USD | 99 | 22 working days | Get Quote |
| 5 mg | 6 USD | 99 | 22 working days | Get Quote |
| 10 mg | 6 USD | 99 | 22 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-1334847750
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8178526519.sdf |
| SMILES | MCULE-8178526519.smiles |
| Standard InChI | MCULE-8178526519.inchi |
| InChIKey | MCULE-8178526519.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904060861 | 95 | As is | by synthesis |
| P-867558660 | 99 | Main component | in stock |
| P-875718101 | N/A | Main component | in stock |
| P-881673491 | 98 | Main component | in stock |
| P-903046474 | 98 | Main component | 1000 g |
| P-610956381 | 90 | Main component | 15.3268 kg |
| P-875896797 | N/A | Main component | in stock |
| P-606847433 | N/A | Main component | in stock |
| P-489129968 | 97 | Main component | in stock |
| P-596944307 | 99 | Main component | 1000 g |
| P-580194034 | 98 | Main component | in stock |
| P-895936992 | 95 | Main component | by resynthesis (? - ? days) |
| P-864105980 | 95 | Main component | in stock |
| P-860056119 | 99 | Main component | by synthesis |
| P-868545532 | 99 | Main component | in stock |
| P-580706170 | 99 | Main component | 26.7 g |
| P-900267626 | N/A | Main component | by resynthesis (? - ? days) |
| P-893229958 | 95 | Main component | in stock |
| P-851244432 | 95 | Main component | by synthesis |
| P-861283193 | 97 | Main component | in stock |
| P-1263292792 | 98 | Main component | in stock |
| P-579478842 | 95 | Main component | in stock |
| P-580307857 | 95 | Main component | by resynthesis (? - ? days) |
| P-905338692 | 95 | Main component | 82 g |
| P-861988260 | 95 | Main component | 315.698 g |
| P-505546333 | 95 | Main component | in stock |
| P-856008994 | 97 | Main component | 3.986 g |
| P-596585480 | 97 | Main component | 500 g |
| P-579621166 | 95 | Main component | unavailable |
| P-580516500 | 97 | Main component | 18 g |
| P-852608820 | N/A | Main component | in stock |
| P-896627570 | 95 | Main component | by synthesis |
| P-854713225 | 95 | Main component | in stock |
| P-474023387 | 95 | Main component | in stock |
| P-608274549 | 98 | Main component | in stock |
| P-888861394 | N/A | Main component | in stock |
| P-889871487 | 95 | Main component | by synthesis |
| P-579712821 | N/A | Main component | in stock |
| P-869162493 | 95 | Main component | by synthesis |
| P-892297946 | 95 | Main component | 978 mg |
| P-888657859 | 95 | Main component | 978 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 179.085 |
| logP | 0.5587 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 91.93 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 30.2174 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 3 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| 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 |
