Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2566282859-0
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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 54 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-2566282859-0.sdf |
| SMILES | MCULE-2566282859-0.smiles |
| Standard InChI | MCULE-2566282859-0.inchi |
| InChIKey | MCULE-2566282859-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-894641233 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-889811279 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-901508882 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-569207684 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-864497634 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-904200657 | Eximed | Building Block Catalog | 95 | As is | 1.95 g |
| P-502788897 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492222693 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-854857552 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-895883073 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-620232264 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.95 g |
| P-26520624 | Otava | In-House Stock Library | 90 | As is | 1.95 g |
| P-14025454 | Pharmeks LLC | Semi-natural compounds | 92 | As is | in stock |
| P-856063135 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 870 mg |
| P-579251667 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33905335 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502338999 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-907284699 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611612119 | Toronto Research | In stock | 90 | As is | in stock |
| P-35145697 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 115 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 231.247 |
| logP | 2.3497 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.108 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| 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 |
