Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4081682654
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4081682654.sdf |
| SMILES | MCULE-4081682654.smiles |
| Standard InChI | MCULE-4081682654.inchi |
| InChIKey | MCULE-4081682654.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886620889 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875805186 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-436473515 | Alinda | Building Blocks | 95 | As is | 7 g |
| P-425248827 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-872942398 | AmBeed | In stock | N/A | As is | in stock |
| P-875890760 | Angene | Building Blocks in stock | 95 | As is | 5 g |
| P-596489650 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-596358604 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-889780426 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-873437005 | BLD pharm | In-stock building blocks | 95 | As is | 1.9 g |
| P-893250101 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-577156067 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-3659789 | ChemDiv | Discovery Chemistry Library | 90 | As is | 38 mg |
| P-861538626 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-488545832 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12660046 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-596587104 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-31155140 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-856045276 | LaboTest | Building Blocks | 90 | As is | 1000 mg |
| P-588252115 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852382153 | Matrix Scientific | All | N/A | As is | in stock |
| P-854875964 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454365928 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13467772 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18929437 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856106977 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502326901 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22455000 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-611609163 | Toronto Research | In stock | 90 | As is | in stock |
| P-1717776 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| P-444971 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 5.828 g |
| P-3224627 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 5.828 g |
| P-3242722 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 5.828 g |
| P-894013420 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.230 |
| logP | 3.3638 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 72.28 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.8724 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
