Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6052691210-0
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 | 37 USD | N/A | 22 working days | Get Quote |
| 5 mg | 37 USD | N/A | 22 working days | Get Quote |
| 10 mg | 37 USD | N/A | 22 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-6052691210-0.sdf |
| SMILES | MCULE-6052691210-0.smiles |
| Standard InChI | MCULE-6052691210-0.inchi |
| InChIKey | MCULE-6052691210-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867571044 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875731869 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-494322450 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-868593781 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580418399 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-524443817 | Key Organics | Biochemicals | 97 | As is | 6.162 g |
| P-856010601 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852381276 | Matrix Scientific | All | N/A | As is | in stock |
| P-502393117 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611481141 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.963 |
| logP | 2.0293 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 9.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 27.352 |
| Atoms | 12 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 4 |
| Heteroatoms | 5 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
