Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8454391162
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 | 8 USD | 98 | 20 working days | Get Quote |
| 5 mg | 8 USD | 98 | 20 working days | Get Quote |
| 10 mg | 8 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-8454391162.sdf |
| SMILES | MCULE-8454391162.smiles |
| Standard InChI | MCULE-8454391162.inchi |
| InChIKey | MCULE-8454391162.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867563686 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875723061 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-580454084 | AEchem | Building blocks | 97 | As is | in stock |
| P-873276479 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893519277 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 4.09132 kg |
| P-866098509 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
| P-606917626 | AmBeed | In stock | N/A | As is | in stock |
| P-489185751 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596946076 | Angene | Building Blocks in stock | 98 | As is | 275 g |
| P-494326788 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864122835 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580723877 | BLD pharm | In-stock building blocks | 98 | As is | 116 g |
| P-454645490 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-448865985 | ChemDiv | Discovery Chemistry Library | 90 | As is | 18 mg |
| P-868560316 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34785510 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580418118 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861934193 | FluoroChem | General BB | 98 | As is | in stock |
| P-502528269 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454298614 | Key Organics | Screening Compounds and Fragments | 90 | As is | 111 mg |
| P-579625762 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-856014309 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852425498 | Matrix Scientific | All | N/A | As is | in stock |
| P-428001983 | Maybridge | Screening Collection | 90 | As is | 24.1 kg |
| P-854739392 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500390445 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19274205 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885548120 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-896073166 | Specs | Repurposed Compounds | N/A | As is | 48.748 g |
| P-596745602 | Synthonix | In-stock Building Blocks | 98 | As is | 605 g |
| P-22850568 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502349991 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611371741 | Toronto Research | In stock | 90 | As is | in stock |
| P-580448609 | Trans World Chemicals | A-chem Products | 97 | As is | in stock |
| P-25127005 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 29 mg |
| P-3247853 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 29 mg |
| P-615399968 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.047 |
| logP | 2.1438 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.0386 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
