Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1582802082-1
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 | 25 USD | 97 | 20 working days | Get Quote |
| 5 mg | 25 USD | 97 | 20 working days | Get Quote |
| 10 mg | 25 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-1582802082-1.sdf |
| SMILES | MCULE-1582802082-1.smiles |
| Standard InChI | MCULE-1582802082-1.inchi |
| InChIKey | MCULE-1582802082-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-613855930 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893531876 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 118.21 g |
| P-851828744 | AmBeed | On request | N/A | As is | by synthesis |
| P-619149567 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-864296084 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-890212870 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579526153 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-492214340 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502684231 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502455469 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503435756 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-488548072 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454371175 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13565204 | Pharmeks LLC | Synthetic compounds | 92 | As is | 151 mg |
| P-893983228 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 147.138 |
| logP | 0.51086 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 102.28 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 37.2291 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
