Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7595957621
Compound
Show structure
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 | 12 USD | 95 | 16 working days | Get Quote |
| 5 mg | 12 USD | 95 | 16 working days | Get Quote |
| 10 mg | 12 USD | 95 | 16 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-4616189364
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7595957621.sdf |
| SMILES | MCULE-7595957621.smiles |
| Standard InChI | MCULE-7595957621.inchi |
| InChIKey | MCULE-7595957621.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903043668 | 98 | As is | 50 g |
| P-616194331 | 98 | As is | by synthesis |
| P-868640025 | 98 | As is | in stock |
| P-869024109 | 95 | As is | by synthesis |
| P-906819298 | 95 | As is | by synthesis |
| P-892838759 | 95 | As is | in stock |
| P-903199825 | 98 | Main component | 50 g |
| P-893478741 | 90 | Main component | 1.78344 kg |
| P-866718475 | 95 | Main component | by resynthesis (? - ? days) |
| P-901924845 | 98 | Main component | 22.144 g |
| P-905499882 | N/A | Main component | in stock |
| P-851273666 | 95 | Main component | by synthesis |
| P-868645763 | 97 | Main component | in stock |
| P-889419948 | 98 | Main component | 61.542 g |
| P-863717717 | 95 | Main component | in stock |
| P-888853290 | N/A | Main component | in stock |
| P-906811368 | 98 | Main component | by synthesis |
| P-892838148 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 576.682 |
| logP | 6.5697 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 145.77 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 159.1949 |
| Atoms | 82 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 40 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
