Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4987806766
Compound
Show structures
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 | 140 USD | 90 | 18 working days | Get Quote |
| 5 mg | 166 USD | 90 | 18 working days | Get Quote |
| 10 mg | 180 USD | 95 | 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.
-
1
MCULE-2374699048
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4987806766.sdf |
| SMILES | MCULE-4987806766.smiles |
| Standard InChI | MCULE-4987806766.inchi |
| InChIKey | MCULE-4987806766.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886695796 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889996449 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-874655209 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893456926 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5.985 g |
| P-889826228 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-901425857 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-467906023 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-601056072 | Life Chemicals | Screening Compounds | 90 | As is | 202 mg |
| P-854776318 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855285224 | Toronto Research | In stock | 90 | As is | in stock |
| P-893777451 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-894676661 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851758377 | AmBeed | On request | N/A | Main component | by synthesis |
| P-591095028 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-854776319 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 276.159 |
| logP | 3.8483 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.93 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 72.1191 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
