Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8414880969
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 51 USD | 90 | 17 working days | Get Quote |
| 10 mg | 65 USD | 90 | 17 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-9037446160
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8414880969.sdf |
| SMILES | MCULE-8414880969.smiles |
| Standard InChI | MCULE-8414880969.inchi |
| InChIKey | MCULE-8414880969.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851435430 | AmBeed | On request | N/A | As is | by synthesis |
| P-611023200 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-886586761 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-890150848 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597018216 | AEchem | Building blocks | 95 | Main component | in stock |
| P-869262250 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-596659989 | Apollo Scientific | In Stock | 95 | Main component | in stock |
| P-868573843 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
| P-580789492 | Crea-Chim | Building Blocks | 95 | Main component | by resynthesis (? - ? days) |
| P-580773923 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | Main component | in stock |
| P-580431740 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-862118680 | FluoroChem | General BB | N/A | Main component | in stock |
| P-856000047 | Key Organics | Screening Compounds and Fragments | 90 | Main component | 100 mg |
| P-854858869 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-424939635 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-491353930 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-23114183 | TimTec | ActiMol 2 Week | 90 | Main component | in stock |
| P-502390687 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-863618518 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 105 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 163.687 |
| logP | 2.9153 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.1377 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
