Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4240581376-1
Structure
Show compound
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 | 11 USD | 97 | 14 working days | Get Quote |
| 5 mg | 11 USD | 97 | 14 working days | Get Quote |
| 10 mg | 11 USD | 97 | 14 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-4240581376-1.sdf |
| SMILES | MCULE-4240581376-1.smiles |
| Standard InChI | MCULE-4240581376-1.inchi |
| InChIKey | MCULE-4240581376-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867627095 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875790080 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-579760157 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903141831 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 250 g |
| P-893534035 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 283.75 g |
| P-606865216 | AmBeed | In stock | N/A | As is | in stock |
| P-619158438 | Angene | Building Blocks in stock | 97 | As is | 250 g |
| P-895922311 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864150490 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-613257850 | BLD pharm | In-stock building blocks | 95 | As is | 74.5 g |
| P-619933673 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-436460827 | Chemical Intelligence Co Limited | Building Blocks | 95 | As is | 37 g |
| P-34877934 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-580753594 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580276939 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901383805 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-502592916 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492214692 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488549966 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12530609 | InterBioScreen | Screening Compounds | 95 | As is | 255 mg |
| P-454386630 | Key Organics | Building Blocks | 95 | As is | 3.45 g |
| P-18761532 | Key Organics | Screening Compounds and Fragments | 95 | As is | 3.45 g |
| P-31219200 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-25746491 | Life Chemicals | Screening Compounds | 90 | As is | 77 mg |
| P-852432228 | Matrix Scientific | All | N/A | As is | in stock |
| P-855397690 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-454371878 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13434718 | Pharmeks LLC | Synthetic compounds | 92 | As is | 276 mg |
| P-18831957 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896076972 | Specs | Repurposed Compounds | N/A | As is | 191 mg |
| P-502326582 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888433003 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-23029134 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611366365 | Toronto Research | In stock | 90 | As is | in stock |
| P-3246968 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 4.065 g |
| P-893945420 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.232 |
| logP | 0.9238 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 108.42 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.6474 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
