Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5380647071
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 | 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 |
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-5746772887
- Component type: Main
-
1
MCULE-5852208511
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5380647071.sdf |
| SMILES | MCULE-5380647071.smiles |
| Standard InChI | MCULE-5380647071.inchi |
| InChIKey | MCULE-5380647071.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597024961 | 95 | As is | in stock |
| P-903170996 | 98 | As is | 1.5 kg |
| P-489154893 | 97 | As is | in stock |
| P-895912785 | 95 | As is | by resynthesis (? - ? days) |
| P-666964099 | 96 | As is | 650 g |
| P-580699452 | 96 | As is | 11.25 g |
| P-868576662 | 95 | As is | in stock |
| P-852458949 | N/A | As is | in stock |
| P-863721222 | 95 | As is | in stock |
| P-904369129 | 95 | As is | in stock |
| P-888853958 | N/A | As is | in stock |
| P-906767466 | 98 | As is | by synthesis |
| P-903056889 | 98 | Main component | 13.5 kg |
| P-905483714 | 98 | Main component | 1000 g |
| P-617065478 | N/A | Main component | in stock |
| P-895956016 | 95 | Main component | unavailable |
| P-580733738 | 98 | Main component | 3.28 kg |
| P-905572278 | 98 | Main component | by synthesis |
| P-905501033 | N/A | Main component | in stock |
| P-505573996 | 98 | Main component | in stock |
| P-578049932 | 98 | Main component | in stock |
| P-868595960 | 98 | Main component | in stock |
| P-579477371 | 95 | Main component | in stock |
| P-861976708 | 98 | Main component | 18.3473 kg |
| P-905361574 | 98 | Main component | 950 g |
| P-493677464 | N/A | Main component | in stock |
| P-579614114 | 99 | Main component | unavailable |
| P-852459772 | N/A | Main component | in stock |
| P-901577650 | 95 | Main component | in stock |
| P-854690885 | 95 | Main component | in stock |
| P-619672530 | 98 | Main component | in stock |
| P-617401993 | N/A | Main component | in stock |
| P-895359439 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 309.273 |
| logP | -0.4551 |
| H-bond acceptors | 11 |
| H-bond donors | 7 |
| Rotatable bonds | 9 |
| PSA | 213.27 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 67.5807 |
| Atoms | 40 |
| Rings | 0 |
| Heavy atoms | 21 |
| Hydrogen atoms | 19 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 1 |
| 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 |
