Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2494285572-0
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 | 36 USD | 95 | 22 working days | Get Quote |
| 5 mg | 36 USD | 95 | 22 working days | Get Quote |
| 10 mg | 36 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.
-
MCULE-1568107397-0
- Component type: Main
-
MCULE-9894825621-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2494285572-0.sdf |
| SMILES | MCULE-2494285572-0.smiles |
| Standard InChI | MCULE-2494285572-0.inchi |
| InChIKey | MCULE-2494285572-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852067946 | N/A | As is | by synthesis |
| P-612936207 | 95 | As is | in stock |
| P-875898029 | 95 | As is | by resynthesis (? - ? days) |
| P-851448865 | N/A | As is | by synthesis |
| P-590763343 | 95 | As is | by synthesis |
| P-619806828 | 96 | As is | in stock |
| P-872930377 | N/A | As is | by synthesis |
| P-852385091 | N/A | As is | in stock |
| P-1263696649 | 95 | As is | by synthesis |
| P-611487088 | 90 | As is | in stock |
| P-667010555 | 95 | As is | in stock |
| P-867668578 | 95 | As a main component | in stock |
| P-852202427 | N/A | As a main component | by synthesis |
| P-875842621 | N/A | As a main component | in stock |
| P-894656177 | 95 | As a main component | in stock |
| P-869198036 | 95 | As a main component | in stock |
| P-590828909 | 95 | As a main component | by synthesis |
| P-616225662 | 95 | As a main component | in stock |
| P-4138356 | 90 | As a main component | 100 mg |
| P-868570725 | 95 | As a main component | in stock |
| P-619806829 | 96 | As a main component | in stock |
| P-854833291 | 95 | As a main component | by synthesis |
| P-854939897 | 95 | As a main component | by synthesis |
| P-893673613 | 95 | As a main component | by synthesis |
| P-615462900 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.215 |
| logP | 2.3355 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 51.04 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.4641 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
