Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1480787326
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 | 64 USD | 95 | 12 working days | Get Quote |
| 5 mg | 147 USD | 95 | 12 working days | Get Quote |
| 10 mg | 216 USD | 95 | 12 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-4917761090
- Component type: Main
-
MCULE-7344353147
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1480787326.sdf |
| SMILES | MCULE-1480787326.smiles |
| Standard InChI | MCULE-1480787326.inchi |
| InChIKey | MCULE-1480787326.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-611447206 | 90 | As is | in stock |
| P-855347343 | 90 | As is | in stock |
| P-1271627412 | 99 | As is | in stock |
| P-867653259 | 95 | As a main component | in stock |
| P-875820278 | 95 | As a main component | in stock |
| P-869259028 | 95 | As a main component | by resynthesis (? - ? days) |
| P-904028158 | N/A | As a main component | by synthesis |
| P-891662769 | N/A | As a main component | by synthesis |
| P-869159818 | 95 | As a main component | unavailable |
| P-892296591 | 95 | As a main component | unavailable |
| P-888655292 | 95 | As a main component | unavailable |
| P-892254177 | 95 | As a main component | 2.36 g |
| P-892338976 | 95 | As a main component | 2.36 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 342.370 |
| logP | 3.4163 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 122.46 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 93.0642 |
| Atoms | 50 |
| Rings | 1 |
| Heavy atoms | 23 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
