Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1125841404
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 | 24 USD | 98 | 16 working days | Get Quote |
| 5 mg | 24 USD | 98 | 16 working days | Get Quote |
| 10 mg | 30 USD | 95 | 9 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-1125841404.sdf |
| SMILES | MCULE-1125841404.smiles |
| Standard InChI | MCULE-1125841404.inchi |
| InChIKey | MCULE-1125841404.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875756878 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-893607874 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 500 mg |
| P-517093855 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-864306506 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-870661412 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-855955131 | Key Organics | Building Blocks | 95 | As is | 25 g |
| P-31161450 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-856045436 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-895200501 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-619673338 | Molnova | Stock | 98 | As is | in stock |
| P-34192590 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-594274615 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892296106 | TargetMol | In Stock BB | 95 | As is | 975 mg |
| P-888656972 | TargetMol | Screening Compounds - stock amount | 95 | As is | 975 mg |
| P-502365398 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888578157 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 345.643 |
| logP | 5.2059 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 18.46 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 88.112 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
