Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5351502745
Compound
Show structures
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 | 11 USD | 95 | 20 working days | Get Quote |
| 5 mg | 11 USD | 95 | 20 working days | Get Quote |
| 10 mg | 11 USD | 95 | 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.
-
1
MCULE-3805063345
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5351502745.sdf |
| SMILES | MCULE-5351502745.smiles |
| Standard InChI | MCULE-5351502745.inchi |
| InChIKey | MCULE-5351502745.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867654300 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-505353889 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881672337 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-596971141 | Angene | Building Blocks in stock | 95 | As is | 600 g |
| P-580194809 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864140214 | AstaTech | In Stock BBs | 90 | As is | in stock |
| P-856009763 | Key Organics | Biochemicals | 97 | As is | 100 mg |
| P-611477027 | Toronto Research | In stock | 90 | As is | in stock |
| P-864274687 | AstaTech | Backordered BBs | 99 | Main component | by synthesis |
| P-892275024 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-869178659 | TargetMol | Natural Products | 95 | Main component | in stock |
| P-892299627 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-892351364 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 51 mg |
| P-611477025 | Toronto Research | In stock | 90 | Main component | in stock |
| P-855057578 | Toronto Research | In stock | 90 | Main component | in stock |
| P-855054805 | Toronto Research | In stock | 90 | Main component | in stock |
| P-868497515 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
| P-535626733 | AK Scientific | Building Blocks | 90 | Main component as a main component | in stock |
| P-505353893 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-580243481 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component as a main component | by synthesis |
| P-596962301 | Angene | Building Blocks in stock | 85 | Main component as a main component | 200 g |
| P-881654683 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-864107714 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-524441544 | Key Organics | Biochemicals | 97 | Main component as a main component | 274 mg |
| P-500381274 | Pi Chemicals | Virtual Compounds | N/A | Main component as a main component | by synthesis |
| P-611340670 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-615409749 | eNovation Chemicals LLC | Building Blocks in stock | 99 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 560.029 |
| logP | 2.693 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 256.26 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 135.5354 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 18 |
| Heteroatoms | 16 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
