Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5424579215
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
-
MCULE-1981438498
- Component type: Main
-
MCULE-2273113895
- Component type: Main
-
MCULE-6510665112
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5424579215.sdf |
| SMILES | MCULE-5424579215.smiles |
| Standard InChI | MCULE-5424579215.inchi |
| InChIKey | MCULE-5424579215.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886612824 | 95 | As is | in stock |
| P-875797238 | N/A | As is | in stock |
| P-612940179 | 95 | As is | in stock |
| P-903151338 | 95 | As is | 2.5 g |
| P-596499145 | 90 | As is | 1000 mg |
| P-596472915 | 90 | As is | 1000 mg |
| P-889801296 | 95 | As is | by synthesis |
| P-901466943 | 95 | As is | by synthesis |
| P-861390144 | 95 | As is | by synthesis |
| P-502459273 | 95 | As is | by synthesis |
| P-492223902 | 95 | As is | in stock |
| P-488548205 | 90 | As is | in stock |
| P-13591646 | 95 | As is | 300 mg |
| P-563675841 | 95 | As is | 1000 mg |
| P-852386593 | N/A | As is | in stock |
| P-895630102 | 95 | As is | by synthesis |
| P-454367294 | 92 | As is | in stock |
| P-13764175 | 92 | As is | 300 mg |
| P-885515742 | 95 | As is | by synthesis |
| P-19310175 | 90 | As is | in stock |
| P-502333958 | 90 | As is | in stock |
| P-903655421 | 94 | As is | by resynthesis (? - ? days) |
| P-611605987 | 90 | As is | in stock |
| P-25623819 | 90 | As is | 110 mg |
| P-893825911 | 95 | As is | by synthesis |
| P-901279060 | N/A | As a main component | in stock |
| P-869290975 | 95 | As a main component | in stock |
| P-864093191 | 95 | As a main component | in stock |
| P-861545355 | 95 | As a main component | by synthesis |
| P-563550779 | 95 | As a main component | 1000 mg |
| P-851998580 | 96 | As a main component | in stock |
| P-26465819 | 90 | As a main component | 100 mg |
| P-611485231 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.310 |
| logP | 2.429 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 38.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.3394 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
