Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4155006996-1
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 | 21 USD | N/A | 35 working days | Get Quote |
| 5 mg | 21 USD | N/A | 35 working days | Get Quote |
| 10 mg | 21 USD | N/A | 35 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-1379368650-0
- Component type: Main
-
MCULE-8698784345-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4155006996-1.sdf |
| SMILES | MCULE-4155006996-1.smiles |
| Standard InChI | MCULE-4155006996-1.inchi |
| InChIKey | MCULE-4155006996-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886574489 | A2B Chem | Predominantly Building Block in stock | N/A | As a main component | in stock |
| P-890148671 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-875725547 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-535626952 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505391669 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-615719286 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-851747526 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-851750156 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-489181376 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-865907506 | Angene | Building Blocks in stock | 95 | As a main component | 225 g |
| P-869384144 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-591023833 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-591027364 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-851273913 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-868579578 | Combi-Blocks | Building Block in stock | 97 | As a main component | in stock |
| P-524165319 | Key Organics | Building Blocks | 98 | As a main component | 5 g |
| P-579634183 | LabSeeker, Inc | On demand Catalog | 99 | As a main component | by resynthesis (? - ? days) |
| P-852464324 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-500389001 | Pi Chemicals | Virtual Compounds | 98 | As a main component | by synthesis |
| P-885541286 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-888653279 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869157140 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-855314180 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-854982824 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855080381 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855023570 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-886940029 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 129.134 |
| logP | -0.6485 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 57.2 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 30.9855 |
| Atoms | 18 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
