Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4139554104
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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.
-
1
MCULE-3858837815
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4139554104.sdf |
| SMILES | MCULE-4139554104.smiles |
| Standard InChI | MCULE-4139554104.inchi |
| InChIKey | MCULE-4139554104.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-674291011 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-675254328 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-867561184 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
| P-875721505 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869187357 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-595218269 | AK Scientific | Building Blocks | 97 | Main component | in stock |
| P-489136560 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596927825 | Angene | Building Blocks in stock | 98 | Main component | 8.975 kg |
| P-864187606 | AstaTech | In Stock BBs | 98 | Main component | in stock |
| P-889739969 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 20 g |
| P-868554535 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-580421019 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-870655035 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-890205703 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
| P-579487364 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 2 g |
| P-505536701 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-505491343 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-492217359 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-504609145 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-488554145 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-608080174 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-31162351 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-613280319 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-852403770 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854737436 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
| P-454374688 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-500382620 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-19554223 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-885524336 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-502329034 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611486695 | Toronto Research | In stock | 90 | Main component | in stock |
| P-1113378 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1.372 g |
| P-3229520 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 1.372 g |
| P-615403545 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-875688203 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-869181869 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-505347709 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-505351273 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-893363016 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component as a main component | by synthesis |
| P-580239030 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component as a main component | by synthesis |
| P-489113745 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489191358 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-864323672 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-893232852 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-619369642 | ChemDiv | New Chemistry Library | 90 | Main component as a main component | 28 mg |
| P-505605428 | Chemcia | Virtual compounds | 95 | Main component as a main component | by synthesis |
| P-861410048 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-868554536 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-34757229 | Crea-Chim | HTS compounds | 90 | Main component as a main component | unavailable |
| P-580424155 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-580424157 | Debye Scientific | General Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-870652064 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
| P-870655726 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
| P-505511654 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-505498499 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-492242963 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
| P-488546944 | InterBioScreen | Building Blocks | 90 | Main component as a main component | in stock |
| P-856043120 | LaboTest | Building Blocks | 90 | Main component as a main component | unavailable |
| P-31161457 | LaboTest | Screening Collection | 90 | Main component as a main component | unavailable |
| P-613333271 | Life Chemicals | Building Blocks - virtual | 95 | Main component as a main component | by synthesis |
| P-580469392 | Manchester Organics | Compounds on demand | 95 | Main component as a main component | by synthesis |
| P-580480403 | Manchester Organics | Compounds on demand | N/A | Main component as a main component | by synthesis |
| P-852443922 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-854932090 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-865619342 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-620226237 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component as a main component | 1000 mg |
| P-26448124 | Otava | In-House Stock Library | 90 | Main component as a main component | 1000 mg |
| P-454366714 | Pharmeks LLC | Building Blocks | 92 | Main component as a main component | in stock |
| P-500370960 | Pi Chemicals | Virtual Compounds | 97 | Main component as a main component | by synthesis |
| P-500374153 | Pi Chemicals | Virtual Compounds | 98 | Main component as a main component | by synthesis |
| P-885533133 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-23035229 | TimTec | ActiMol 3 Week | 90 | Main component as a main component | in stock |
| P-502328728 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-611486696 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-575329346 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-480892075 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 265.176 |
| logP | 3.1026 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 24.5 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 78.2227 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 18 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
