Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4653646367-1
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 | 18 USD | 95 | 19 working days | Get Quote |
| 5 mg | 18 USD | 95 | 19 working days | Get Quote |
| 10 mg | 18 USD | 95 | 19 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.
-
MCULE-1720910553-0
- Component type: Main
-
MCULE-2620645862-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4653646367-1.sdf |
| SMILES | MCULE-4653646367-1.smiles |
| Standard InChI | MCULE-4653646367-1.inchi |
| InChIKey | MCULE-4653646367-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590368706 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-874624603 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
| P-851419300 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-596985015 | Angene | Building Blocks in stock | 95 | As a main component | 75 g |
| P-864197849 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-893261073 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-870658776 | Glentham Life Sciences | Compounds typically in stock | 95 | As a main component | in stock |
| P-675217522 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-596562917 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
| P-885537376 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-33292616 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
| P-33209674 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
| P-611446137 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-575306234 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.437 |
| logP | 4.5498 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 14 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 87.5215 |
| Atoms | 51 |
| Rings | 0 |
| Heavy atoms | 20 |
| Hydrogen atoms | 31 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
