Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1125691368
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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.
| Name | File |
|---|---|
| SDF | MCULE-1125691368.sdf |
| SMILES | MCULE-1125691368.smiles |
| Standard InChI | MCULE-1125691368.inchi |
| InChIKey | MCULE-1125691368.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886672777 | 95 | As is | in stock |
| P-889974940 | N/A | As is | by synthesis |
| P-869262029 | 95 | As is | in stock |
| P-903238591 | 95 | As is | 2.5 g |
| P-851512199 | N/A | As is | by synthesis |
| P-899949217 | N/A | As is | by synthesis |
| P-864234856 | 95 | As is | by synthesis |
| P-590872891 | 95 | As is | by synthesis |
| P-901903670 | 95 | As is | by synthesis |
| P-901474092 | 95 | As is | by synthesis |
| P-861339201 | 95 | As is | by synthesis |
| P-503007878 | 90 | As is | by synthesis |
| P-563525881 | 95 | As is | 1000 mg |
| P-895662574 | 95 | As is | by synthesis |
| P-18938381 | 90 | As is | in stock |
| P-481091 | 90 | As is | 238 mg |
| P-3241028 | 90 | As is | 238 mg |
| P-893734697 | 95 | As is | by synthesis |
| P-893724005 | 95 | As is | by synthesis |
| P-893748580 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.200 |
| logP | 1.5111 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 38.69 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.2468 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| 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 |
