Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2182146273-0
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 | 13 USD | 95 | 11 working days | Get Quote |
| 5 mg | 13 USD | 95 | 11 working days | Get Quote |
| 10 mg | 13 USD | 95 | 11 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-1464306754-1
- Component type: Main
-
2
MCULE-5646000632-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2182146273-0.sdf |
| SMILES | MCULE-2182146273-0.smiles |
| Standard InChI | MCULE-2182146273-0.inchi |
| InChIKey | MCULE-2182146273-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851732903 | N/A | As is | by synthesis |
| P-616197721 | 97 | As is | by synthesis |
| P-896060283 | N/A | Main component as a main component | in stock |
| P-862399454 | 98 | Main component as a main component | 75 g |
| P-617324871 | 90 | Main component as a main component | in stock |
| P-887070808 | 95 | Main component as a main component | in stock |
| P-675391487 | 90 | Main component as a main component | in stock |
| P-856044232 | 90 | Main component as a main component | 10 g |
| P-856017192 | 90 | Main component as a main component | 10 g |
| P-871075588 | 95 | Main component as a main component | in stock |
| P-881187996 | 90 | Main component as a main component | 300 mg |
| P-675096229 | 90 | Main component as a main component | in stock |
| P-873221963 | 90 | Main component as a main component | in stock |
| P-873225498 | 90 | Main component as a main component | in stock |
| P-888592741 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-617765838 | 90 | Main component as a main component | 2.708 g |
| P-617712875 | 90 | Main component as a main component | 2.708 g |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 304.303 |
| logP | 1.82 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 171.62 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 58.4724 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| 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 |
