Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-8897088367-0
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 20 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-1032244867-1
- Component type: Main
-
1
MCULE-9920754312-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8897088367-0.sdf |
| SMILES | MCULE-8897088367-0.smiles |
| Standard InChI | MCULE-8897088367-0.inchi |
| InChIKey | MCULE-8897088367-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-851954214 | N/A | As is | in stock |
| P-597006252 | 95 | As is | 4 kg |
| P-864201494 | 95 | As is | in stock |
| P-901418274 | 95 | As is | by synthesis |
| P-505510917 | 95 | As is | in stock |
| P-505512190 | 95 | As is | in stock |
| P-893995736 | 95 | As is | in stock |
| P-867587479 | 98 | Main component as a main component | in stock |
| P-875746497 | N/A | Main component as a main component | in stock |
| P-875832732 | N/A | Main component as a main component | in stock |
| P-881662939 | 95 | Main component as a main component | in stock |
| P-505388637 | 98 | Main component as a main component | in stock |
| P-606928660 | N/A | Main component as a main component | in stock |
| P-596954835 | 98 | Main component as a main component | 7 kg |
| P-864184128 | 95 | Main component as a main component | in stock |
| P-893225500 | 95 | Main component as a main component | in stock |
| P-500377219 | 98 | Main component as a main component | by synthesis |
| P-904256562 | 95 | Main component as a main component | in stock |
| P-869125123 | 95 | Main component as a main component | by synthesis |
| P-888638770 | 95 | Main component as a main component | 99.942 g |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 277.271 |
| logP | -2.0947 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 134.96 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.5403 |
| Atoms | 38 |
| Rings | 0 |
| Heavy atoms | 19 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
