Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3173280803-0
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 | 109 USD | 90 | 20 working days | Get Quote |
| 5 mg | 109 USD | 90 | 20 working days | Get Quote |
| 10 mg | 109 USD | 90 | 20 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.
-
1
MCULE-1210984959-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3173280803-0.sdf |
| SMILES | MCULE-3173280803-0.smiles |
| Standard InChI | MCULE-3173280803-0.inchi |
| InChIKey | MCULE-3173280803-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-856029482 | LaboTest | Screening Collection | 90 | As is | 200 mg |
| P-892895591 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
| P-891661104 | AmBeed | On request | N/A | Main component | by synthesis |
| P-895114905 | Angene | Building Blocks in stock | N/A | Main component | 50 mg |
| P-895181227 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896070583 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-19431260 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-896125545 | Specs | Screening Compounds | 90 | Main component | unavailable |
| P-896125546 | Specs | Screening Compounds | 90 | Main component | 7 mg |
| P-12591567 | Specs | Screening Compounds | 90 | Main component | 8 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 425.434 |
| logP | 1.9033 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 157.21 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 117.8376 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
