Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7942535597
Compound
Show structure
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 | 80 USD | 95 | 11 working days | Get Quote |
| 5 mg | 152 USD | 98 | 20 working days | Get Quote |
| 10 mg | 152 USD | 98 | 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.
-
MCULE-2451195047
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7942535597.sdf |
| SMILES | MCULE-7942535597.smiles |
| Standard InChI | MCULE-7942535597.inchi |
| InChIKey | MCULE-7942535597.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872837568 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-851936909 | AmBeed | In stock | N/A | As is | in stock |
| P-873300009 | Angene | Building Blocks in stock | 98 | As is | 99 mg |
| P-869388150 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-888628579 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869110233 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611508206 | Toronto Research | In stock | 90 | As is | in stock |
| P-872837569 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-868821503 | AmBeed | In stock | N/A | As a main component | in stock |
| P-888827109 | Angene | Building Blocks in stock | 98 | As a main component | 225 mg |
| P-889789617 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-888628578 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869110232 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 530.664 |
| logP | 3.66328 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 15 |
| PSA | 126.28 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 154.1561 |
| Atoms | 77 |
| Rings | 2 |
| Heavy atoms | 39 |
| Hydrogen atoms | 38 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
