Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3575868161-0
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 | 97 | 9 working days | Get Quote |
| 5 mg | 13 USD | 97 | 9 working days | Get Quote |
| 10 mg | 13 USD | 97 | 9 working days | Get Quote |
- 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-2704647488-0
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3575868161-0.sdf |
| SMILES | MCULE-3575868161-0.smiles |
| Standard InChI | MCULE-3575868161-0.inchi |
| InChIKey | MCULE-3575868161-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489146629 | 97 | As is | in stock |
| P-867570782 | 95 | Main component | in stock |
| P-867671657 | N/A | Main component | in stock |
| P-875731609 | 95 | Main component | in stock |
| P-1265907653 | N/A | Main component | in stock |
| P-1275146295 | 98 | Main component | in stock |
| P-1275197053 | 99 | Main component | in stock |
| P-1264498418 | 95 | Main component | 10 g |
| P-851753428 | N/A | Main component | by synthesis |
| P-596659380 | 95 | Main component | 6.1825 kg |
| P-901460901 | 95 | Main component | by synthesis |
| P-868612804 | 97 | Main component | in stock |
| P-580301653 | 95 | Main component | by resynthesis (? - ? days) |
| P-889112492 | 95 | Main component | 5 g |
| P-502945777 | 90 | Main component | in stock |
| P-1275085780 | 97 | Main component | 1000 mg |
| P-454408319 | 95 | Main component | 497.626 g |
| P-454332241 | 95 | Main component | 965 mg |
| P-885538399 | 95 | Main component | by synthesis |
| P-1272895295 | 94 | Main component | by resynthesis (? - ? days) |
| P-590420105 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 174.237 |
| logP | 1.6483 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.3106 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
