Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5729797705-0
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 33 USD | 98 | 20 working days | Get Quote |
| 10 mg | 52 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.
| Name | File |
|---|---|
| SDF | MCULE-5729797705-0.sdf |
| SMILES | MCULE-5729797705-0.smiles |
| Standard InChI | MCULE-5729797705-0.inchi |
| InChIKey | MCULE-5729797705-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875811824 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869224328 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-613852269 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893300736 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-891661004 | AmBeed | On request | N/A | As is | by synthesis |
| P-865923393 | Angene | Building Blocks in stock | 98 | As is | 400 mg |
| P-896041871 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-864154455 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-871221520 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-893232225 | Biosynth | In Stock | 95 | As is | in stock |
| P-887183905 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-873244768 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-873244769 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-873389062 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-896629703 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-863740925 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-608280159 | Molnova | Stock | 98 | As is | in stock |
| P-889877307 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892273616 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892304223 | TargetMol | Natural Products | 95 | As is | in stock |
| P-892298798 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-892350219 | TargetMol | Screening Compounds - stock amount | 95 | As is | 889 mg |
| P-893968836 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-893970277 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 354.395 |
| logP | 4.3216 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 75.99 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 99.7595 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
