Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9035690863
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-9201786232
- Component type: Main
-
1
MCULE-6872461833
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9035690863.sdf |
| SMILES | MCULE-9035690863.smiles |
| Standard InChI | MCULE-9035690863.inchi |
| InChIKey | MCULE-9035690863.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-488546509 | 90 | As is | in stock |
| P-24334772 | 95 | As is | 300 mg |
| P-13477855 | 92 | As is | 300 mg |
| P-617782845 | 90 | As is | 110 mg |
| P-893085558 | N/A | Main component | by synthesis |
| P-596391692 | 90 | Main component | 108 mg |
| P-596513901 | 90 | Main component | 108 mg |
| P-502502367 | 95 | Main component | by synthesis |
| P-12827631 | 95 | Main component | 288 mg |
| P-13333738 | 92 | Main component | 288 mg |
| P-579275186 | 90 | Main component | in stock |
| P-33574891 | 94 | Main component | by resynthesis (? - ? days) |
| P-1648056 | 90 | Main component | 50 mg |
| P-24184934 | 95 | Main component as a main component | 280 mg |
| P-13434192 | 92 | Main component as a main component | 280 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 269.274 |
| logP | 1.3938 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 87.55 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 69.5585 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| 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 |
