Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4030225798-0
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 | 467 USD | 95 | 7 working days | Get Quote |
| 5 mg | 641 USD | 98 | 22 working days | Get Quote |
| 10 mg | 1024 USD | 98 | 22 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.
-
1
MCULE-9977215495-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4030225798-0.sdf |
| SMILES | MCULE-4030225798-0.smiles |
| Standard InChI | MCULE-4030225798-0.inchi |
| InChIKey | MCULE-4030225798-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648211 | N/A | Main component | in stock |
| P-875815343 | N/A | Main component | in stock |
| P-874637834 | N/A | Main component | by resynthesis (? - ? days) |
| P-893617989 | 90 | Main component | 2.479 g |
| P-851463475 | N/A | Main component | by synthesis |
| P-895102779 | N/A | Main component | 50 mg |
| P-1273260112 | 95 | Main component | by resynthesis (? - ? days) |
| P-889521585 | 95 | Main component | by synthesis |
| P-890225630 | 98 | Main component | by synthesis |
| P-873243425 | 97 | Main component | 1 mg |
| P-1267008700 | 95 | Main component | by synthesis |
| P-854715347 | 95 | Main component | in stock |
| P-888173179 | 98 | Main component | by synthesis |
| P-892287947 | 95 | Main component | unavailable |
| P-869112216 | 95 | Main component | 150 mg |
| P-888629837 | 95 | Main component | 150 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 415.468 |
| logP | 1.1541 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 136.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 119.6226 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
