Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2782240614
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 | 7 USD | 95 | 16 working days | Get Quote |
| 5 mg | 7 USD | 95 | 16 working days | Get Quote |
| 10 mg | 7 USD | 95 | 16 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.
-
1
MCULE-5664596559
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2782240614.sdf |
| SMILES | MCULE-2782240614.smiles |
| Standard InChI | MCULE-2782240614.inchi |
| InChIKey | MCULE-2782240614.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872828311 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875768130 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-865914017 | Angene | Building Blocks in stock | 95 | As is | 263 g |
| P-872726572 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889790589 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868630660 | Combi-Blocks | Building Block in stock | 91 | As is | in stock |
| P-889442000 | FluoroChem | General BB | N/A | As is | in stock |
| P-608220824 | Glentham Life Sciences | Compounds maintained in stock | N/A | As is | in stock |
| P-500418042 | Glentham Life Sciences | Compounds maintained in stock | 80 | As is | in stock |
| P-856045917 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-856045930 | LaboTest | Building Blocks | 90 | As is | 5 g |
| P-31189292 | LaboTest | Screening Collection | 90 | As is | 5 g |
| P-31197619 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-872527753 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-584624651 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-584625080 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-502366198 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873221953 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1017.628 |
| logP | 8.1041 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 93.4 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 160.5995 |
| Atoms | 37 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 2 |
| Heteroatoms | 15 |
| N/O atoms | 5 |
| Inorganic atoms | 2 |
| Halogen atoms | 8 |
| 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 |
