Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5214554962
Compound
Show structures
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 | 17 USD | 95 | 14 working days | Get Quote |
| 5 mg | 67 USD | 95 | 14 working days | Get Quote |
| 10 mg | 99 USD | 98 | 20 working days | Get Quote |
- 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-3123287866
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5214554962.sdf |
| SMILES | MCULE-5214554962.smiles |
| Standard InChI | MCULE-5214554962.inchi |
| InChIKey | MCULE-5214554962.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867641669 | 95 | As is | in stock |
| P-875807611 | 95 | As is | in stock |
| P-505394565 | 95 | As is | by resynthesis (? - ? days) |
| P-903165898 | 95 | As is | 8 g |
| P-1264051877 | 99 | As is | in stock |
| P-1270371345 | 98 | As is | in stock |
| P-851954525 | N/A | As is | in stock |
| P-489242761 | 97 | As is | in stock |
| P-596985526 | 98 | As is | 7 g |
| P-1273259890 | 95 | As is | by resynthesis (? - ? days) |
| P-864148747 | 95 | As is | in stock |
| P-666964726 | 98 | As is | 1.581 g |
| P-1275107250 | N/A | As is | by resynthesis (? - ? days) |
| P-887238931 | 95 | As is | by synthesis |
| P-868660701 | 95 | As is | in stock |
| P-862139818 | 98 | As is | 5 g |
| P-524166703 | 95 | As is | 10 mg |
| P-863734704 | 95 | As is | in stock |
| P-871069210 | 95 | As is | in stock |
| P-611527594 | 90 | As is | in stock |
| P-611367740 | 90 | As is | in stock |
| P-855231728 | 90 | As is | in stock |
| P-1270150122 | 95 | As a main component | in stock |
| P-890181596 | 95 | As a main component | in stock |
| P-881626213 | N/A | As a main component | by synthesis |
| P-1272004018 | 95 | As a main component | 1 mg |
| P-1274803797 | 95 | As a main component | by resynthesis (? - ? days) |
| P-890234738 | 98 | As a main component | by synthesis |
| P-1273111325 | 95 | As a main component | 100 mg |
| P-895188760 | 95 | As a main component | by synthesis |
| P-871069211 | 95 | As a main component | in stock |
| P-1274343859 | 95 | As a main component | unavailable |
| P-1274355409 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.170 |
| logP | 0.7218 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 0 |
| PSA | 141.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.618 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 6 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
