Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1169184305
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-8478950827
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1169184305.sdf |
| SMILES | MCULE-1169184305.smiles |
| Standard InChI | MCULE-1169184305.inchi |
| InChIKey | MCULE-1169184305.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867349974 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-851922916 | AmBeed | On request | N/A | As is | by synthesis |
| P-611213184 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-619306340 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
| P-516896694 | Eximed | In-stock screening compounds | 90 | As is | 3.1 g |
| P-516919994 | Eximed | Building Block Catalog | 95 | As is | 3.1 g |
| P-580005491 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-580036752 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-620225312 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 5.1 g |
| P-34032034 | Otava | In-House Stock Library | 90 | As is | 5.1 g |
| P-520123860 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-851869803 | AmBeed | On request | N/A | Main component | by synthesis |
| P-611200226 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-887152138 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-488544398 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-14004555 | InterBioScreen | Natural Compounds | 92 | Main component | 300 mg |
| P-596596141 | Key Organics | Building Blocks | 90 | Main component | 1000 mg |
| P-26440078 | Otava | In-House Stock Library | 90 | Main component | 100 mg |
| P-617693665 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 100 mg |
| P-454364027 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-19664479 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-464686822 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 59 mg |
| P-2376811 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 59 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 254.711 |
| logP | 2.7297 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 56.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.699 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
