Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3617591908
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 | 27 USD | 95 | 10 working days | Get Quote |
| 5 mg | 27 USD | 95 | 10 working days | Get Quote |
| 10 mg | 27 USD | 95 | 10 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-2299298325
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3617591908.sdf |
| SMILES | MCULE-3617591908.smiles |
| Standard InChI | MCULE-3617591908.inchi |
| InChIKey | MCULE-3617591908.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867533537 | 90 | As is | in stock |
| P-875687977 | N/A | As is | in stock |
| P-590405601 | 90 | As is | in stock |
| P-903007463 | 97 | As is | 20 g |
| P-610958639 | 90 | As is | 61.26 g |
| P-851501275 | N/A | As is | by synthesis |
| P-489218636 | 97 | As is | in stock |
| P-596977414 | 97 | As is | 20 g |
| P-494347978 | 95 | As is | 100 mg |
| P-864092803 | 95 | As is | in stock |
| P-590884040 | 95 | As is | by synthesis |
| P-617648397 | 90 | As is | in stock |
| P-584604653 | 95 | As is | in stock |
| P-861276644 | 95 | As is | in stock |
| P-868554372 | 97 | As is | in stock |
| P-563549452 | 95 | As is | 44 mg |
| P-588716965 | 95 | As is | 44 mg |
| P-615657211 | 95 | As is | in stock |
| P-856077841 | 95 | As is | 10 g |
| P-601042051 | 90 | As is | 13.954 g |
| P-25841556 | 95 | As is | 13.954 g |
| P-580492551 | N/A | As is | by synthesis |
| P-852458581 | N/A | As is | in stock |
| P-854781871 | 95 | As is | by synthesis |
| P-888871203 | N/A | As is | in stock |
| P-851349253 | 97 | As is | 10 g |
| P-906819361 | 98 | As is | by synthesis |
| P-611520590 | 90 | As is | in stock |
| P-611381972 | 90 | As is | in stock |
| P-480961077 | 95 | As is | in stock |
| P-620776129 | 98 | Main component | by synthesis |
| P-889897762 | N/A | Main component | by synthesis |
| P-890254182 | 97 | Main component | by synthesis |
| P-615729002 | 95 | Main component | in stock |
| P-851639271 | N/A | Main component | by synthesis |
| P-489244717 | 97 | Main component | in stock |
| P-489145673 | 97 | Main component | in stock |
| P-869383456 | 95 | Main component | in stock |
| P-591174127 | 95 | Main component | by synthesis |
| P-861276645 | 95 | Main component | in stock |
| P-861461575 | 95 | Main component | by synthesis |
| P-580305894 | 95 | Main component | by resynthesis (? - ? days) |
| P-563598117 | 95 | Main component | 250 mg |
| P-563598118 | 95 | Main component | 250 mg |
| P-563592688 | 95 | Main component | 250 mg |
| P-852493917 | N/A | Main component | in stock |
| P-895268539 | 95 | Main component | by synthesis |
| P-611381971 | 90 | Main component | in stock |
| P-886963053 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 247.742 |
| logP | 3.0338 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.5247 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
