Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2727300494-0
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 | 95 | 22 working days | Get Quote |
| 5 mg | 6 USD | 95 | 22 working days | Get Quote |
| 10 mg | 6 USD | 95 | 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-9966047767-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2727300494-0.sdf |
| SMILES | MCULE-2727300494-0.smiles |
| Standard InChI | MCULE-2727300494-0.inchi |
| InChIKey | MCULE-2727300494-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-674994454 | 95 | As is | by synthesis |
| P-889958837 | N/A | As is | by synthesis |
| P-869334414 | 95 | As is | in stock |
| P-851472608 | N/A | As is | by synthesis |
| P-590836215 | 95 | As is | by synthesis |
| P-861519804 | 95 | As is | by synthesis |
| P-575336810 | 95 | As is | in stock |
| P-895276249 | 95 | As is | by synthesis |
| P-611381178 | 90 | As is | in stock |
| P-852178394 | N/A | Main component | by synthesis |
| P-19282748 | 90 | Main component | in stock |
| P-896077894 | N/A | Main component | 71.056 g |
| P-544141 | 90 | Main component | 216 mg |
| P-867568487 | 95 | Main component as a main component | in stock |
| P-875728816 | N/A | Main component as a main component | in stock |
| P-590364973 | 97 | Main component as a main component | in stock |
| P-903058207 | 95 | Main component as a main component | 3 kg |
| P-606940903 | N/A | Main component as a main component | in stock |
| P-596948568 | 95 | Main component as a main component | 1.5 kg |
| P-895922588 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864196258 | 95 | Main component as a main component | in stock |
| P-893224524 | 95 | Main component as a main component | in stock |
| P-617648108 | 90 | Main component as a main component | in stock |
| P-617651293 | 90 | Main component as a main component | in stock |
| P-584601855 | 95 | Main component as a main component | in stock |
| P-851269921 | 95 | Main component as a main component | by synthesis |
| P-675423587 | 90 | Main component as a main component | in stock |
| P-675493411 | 95 | Main component as a main component | in stock |
| P-492241889 | 95 | Main component as a main component | in stock |
| P-856012899 | 90 | Main component as a main component | unavailable |
| P-852447437 | N/A | Main component as a main component | in stock |
| P-854739666 | 95 | Main component as a main component | in stock |
| P-617694592 | 90 | Main component as a main component | 260 mg |
| P-578152138 | 90 | Main component as a main component | 260 mg |
| P-885546234 | 95 | Main component as a main component | by synthesis |
| P-424839131 | 90 | Main component as a main component | in stock |
| P-896077969 | N/A | Main component as a main component | 2.74 g |
| P-611381179 | 90 | Main component as a main component | in stock |
| P-3053855 | 90 | Main component as a main component | 1.126 g |
| P-575297032 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 247.158 |
| logP | 3.5714 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 75.17 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.1431 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| 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 |
