Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1452035534
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 | 52 USD | 95 | 14 working days | Get Quote |
| 5 mg | 52 USD | 95 | 14 working days | Get Quote |
| 10 mg | 52 USD | 95 | 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.
-
MCULE-1472317874
- Component type: Unknown
-
MCULE-3889410803
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1452035534.sdf |
| SMILES | MCULE-1452035534.smiles |
| Standard InChI | MCULE-1452035534.inchi |
| InChIKey | MCULE-1452035534.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886549245 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-890143657 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-489188768 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-597006447 | Angene | Building Blocks in stock | 98 | As is | 4.7 g |
| P-889791932 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-861387183 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580430885 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-505492390 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-856089670 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-856044078 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31275076 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-874446364 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-500404715 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-502333043 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611371098 | Toronto Research | In stock | 90 | As is | in stock |
| P-575296289 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| P-615419608 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.186 |
| logP | 1.4179 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 120.28 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.2831 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 6 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
