Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5514124074-0
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 | 48 USD | 90 | 21 working days | Get Quote |
| 5 mg | 76 USD | 90 | 21 working days | Get Quote |
| 10 mg | 92 USD | 90 | 21 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-2193342319-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5514124074-0.sdf |
| SMILES | MCULE-5514124074-0.smiles |
| Standard InChI | MCULE-5514124074-0.inchi |
| InChIKey | MCULE-5514124074-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270126314 | 95 | As is | in stock |
| P-1268879021 | 95 | As is | by synthesis |
| P-904573439 | 95 | As is | by resynthesis (? - ? days) |
| P-851523978 | N/A | As is | by synthesis |
| P-489155464 | 97 | As is | in stock |
| P-905452898 | 95 | As is | by synthesis |
| P-611183220 | 98 | As is | by synthesis |
| P-869025140 | 95 | As is | by synthesis |
| P-491202614 | 95 | As is | by synthesis |
| P-1266971058 | 95 | As a main component | by synthesis |
| P-901252500 | 95 | As a main component | by synthesis |
| P-903495643 | 95 | As a main component | 17 g |
| P-893458246 | 90 | As a main component | 34.5 g |
| P-1275123461 | 95 | As a main component | in stock |
| P-900256779 | 95 | As a main component | 17 g |
| P-1274844233 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1275592876 | 95 | As a main component | by synthesis |
| P-1274910445 | 95 | As a main component | by synthesis |
| P-890221187 | 90 | As a main component | in stock |
| P-855379864 | 90 | As a main component | 1 mg |
| P-563672912 | 95 | As a main component | 50 mg |
| P-881174941 | 95 | As a main component | by synthesis |
| P-492281836 | 95 | As a main component | 1.1 g |
| P-34037724 | 90 | As a main component | 1.1 g |
| P-1271652769 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.199 |
| logP | 1.6563 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.2322 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
