Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3589992898
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-6298691663
- Component type: Main
-
1
MCULE-4223142955
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3589992898.sdf |
| SMILES | MCULE-3589992898.smiles |
| Standard InChI | MCULE-3589992898.inchi |
| InChIKey | MCULE-3589992898.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904221882 | 95 | As is | by synthesis |
| P-904238612 | 95 | As is | unavailable |
| P-893165752 | N/A | Main component as a main component | by synthesis |
| P-875746107 | N/A | Main component as a main component | in stock |
| P-875746108 | N/A | Main component as a main component | in stock |
| P-590367400 | 98 | Main component as a main component | in stock |
| P-590367405 | 99 | Main component as a main component | in stock |
| P-903076837 | 98 | Main component as a main component | 3.5 kg |
| P-903076838 | 98 | Main component as a main component | 1000 g |
| P-851899750 | N/A | Main component as a main component | by synthesis |
| P-606855970 | N/A | Main component as a main component | in stock |
| P-596988994 | 98 | Main component as a main component | 32.5 kg |
| P-865910518 | 98 | Main component as a main component | 1000 g |
| P-872724452 | 98 | Main component as a main component | in stock |
| P-895930132 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864197628 | 95 | Main component as a main component | in stock |
| P-675652976 | 99 | Main component as a main component | 1.15 kg |
| P-591043870 | 98 | Main component as a main component | by synthesis |
| P-617324302 | 90 | Main component as a main component | in stock |
| P-851278571 | 95 | Main component as a main component | by synthesis |
| P-896544224 | 98 | Main component as a main component | in stock |
| P-868613031 | 98 | Main component as a main component | in stock |
| P-901408815 | 95 | Main component as a main component | 39.8474 kg |
| P-870661117 | N/A | Main component as a main component | in stock |
| P-596563858 | 97 | Main component as a main component | 100 g |
| P-855919067 | 97 | Main component as a main component | 500 g |
| P-854717410 | 95 | Main component as a main component | in stock |
| P-474023965 | 95 | Main component as a main component | in stock |
| P-872674484 | 95 | Main component as a main component | in stock |
| P-608275949 | 98 | Main component as a main component | in stock |
| P-889867226 | 95 | Main component as a main component | by synthesis |
| P-579711603 | N/A | Main component as a main component | in stock |
| P-892265861 | 95 | Main component as a main component | by synthesis |
| P-892346229 | 95 | Main component as a main component | unavailable |
| P-888594862 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-906775507 | 98 | Main component as a main component | by synthesis |
| P-906774774 | 98 | Main component as a main component | by synthesis |
| P-855052715 | 90 | Main component as a main component | in stock |
| P-893989881 | 95 | Main component as a main component | in stock |
| P-868523636 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 350.451 |
| logP | -2.8328 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 120.72 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.8714 |
| Atoms | 58 |
| Rings | 0 |
| Heavy atoms | 24 |
| Hydrogen atoms | 34 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
