Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1340267786-0
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 | 95 | 18 working days | Get Quote |
| 5 mg | 21 USD | 95 | 18 working days | Get Quote |
| 10 mg | 21 USD | 95 | 18 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-7296881302-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1340267786-0.sdf |
| SMILES | MCULE-1340267786-0.smiles |
| Standard InChI | MCULE-1340267786-0.inchi |
| InChIKey | MCULE-1340267786-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869120766 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888635520 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-867560948 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875721647 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869195255 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-505395336 | AK Scientific | Building Blocks | 97 | Main component | in stock |
| P-606845730 | AmBeed | In stock | N/A | Main component | in stock |
| P-596927801 | Angene | Building Blocks in stock | 98 | Main component | 160.614 g |
| P-881654597 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-889455227 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-893237948 | Biosynth | In Stock | 95 | Main component | in stock |
| P-580417381 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-675217114 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-890851141 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-881187888 | Otava | In-House Stock Library | 90 | Main component | 300 mg |
| P-500399195 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-892224508 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892289507 | TargetMol | In Stock BB | 95 | Main component | 972 mg |
| P-892318439 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 972 mg |
| P-611371023 | Toronto Research | In stock | 90 | Main component | in stock |
| P-855036313 | Toronto Research | In stock | 90 | Main component | in stock |
| P-575318064 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 687.432 |
| logP | 5.455 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 92.78 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 119.1562 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 13 |
| Heteroatoms | 9 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
