Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4178961944
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 | 5 USD | 98 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 8 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-4178961944.sdf |
| SMILES | MCULE-4178961944.smiles |
| Standard InChI | MCULE-4178961944.inchi |
| InChIKey | MCULE-4178961944.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867564312 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875723293 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-535625917 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505354260 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903052687 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 3.5 kg |
| P-580240080 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-596946305 | Angene | Building Blocks in stock | 98 | As is | 3.5 kg |
| P-864136562 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580708985 | BLD pharm | In-stock building blocks | 98 | As is | 4.7 kg |
| P-901458960 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-893230977 | Biosynth | In Stock | 95 | As is | in stock |
| P-454640287 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-15130725 | ChemDiv | Discovery Chemistry Library | 90 | As is | 335.995 g |
| P-436440764 | Chemical Block | Building Blocks | 90 | As is | 11.63 g |
| P-198359 | Chemical Block | Screening Library | 90 | As is | 1.034 g |
| P-436469752 | Chemical Intelligence Co Limited | Building Blocks | 95 | As is | in stock |
| P-851280655 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868592574 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34692209 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580303006 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-579804947 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-889110036 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-871252500 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 100 mg |
| P-890222997 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-900955385 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502528685 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-870569452 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-488544331 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-14007123 | InterBioScreen | Natural Compounds | 95 | As is | 300 mg |
| P-18804207 | Key Organics | Screening Compounds and Fragments | 95 | As is | 14.083 g |
| P-454410364 | Key Organics | Building Blocks | 95 | As is | 83.243 g |
| P-608101332 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-31253225 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613282205 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580461433 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852443504 | Matrix Scientific | All | N/A | As is | in stock |
| P-428001624 | Maybridge | Screening Collection | 90 | As is | 30 kg |
| P-424124230 | Otava | In-House Stock Library | 90 | As is | 690 mg |
| P-492279933 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.5 g |
| P-454364909 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-491224487 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23970065 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33449433 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502327782 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855351800 | Toronto Research | In stock | 90 | As is | in stock |
| P-2360833 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 6.905 g |
| P-3224867 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 6.905 g |
| P-615391805 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 126.110 |
| logP | 0.6538 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.967 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
