Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5159939046
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 | 6 USD | 99 | 20 working days | Get Quote |
| 5 mg | 6 USD | 99 | 20 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5159939046.sdf |
| SMILES | MCULE-5159939046.smiles |
| Standard InChI | MCULE-5159939046.inchi |
| InChIKey | MCULE-5159939046.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587002 | 99 | As is | in stock |
| P-875745598 | N/A | As is | in stock |
| P-869182376 | 95 | As is | in stock |
| P-505391028 | 98 | As is | in stock |
| P-903076347 | 99 | As is | 4 kg |
| P-580239222 | 95 | As is | by synthesis |
| P-606832102 | N/A | As is | in stock |
| P-596954624 | 99 | As is | 1.5 kg |
| P-895925681 | 95 | As is | by resynthesis (? - ? days) |
| P-864186309 | 98 | As is | in stock |
| P-580703906 | 97 | As is | 1.6 kg |
| P-893226584 | 95 | As is | in stock |
| P-881080767 | N/A | As is | in stock |
| P-580435706 | 95 | As is | by resynthesis (? - ? days) |
| P-861987033 | 95 | As is | 521 g |
| P-905337982 | 95 | As is | 521 g |
| P-505494680 | 95 | As is | in stock |
| P-502528029 | 95 | As is | by synthesis |
| P-855992794 | 98 | As is | 100 mg |
| P-524165093 | 98 | As is | 1000 g |
| P-31196912 | 90 | As is | unavailable |
| P-580481460 | N/A | As is | by synthesis |
| P-852443387 | N/A | As is | in stock |
| P-35236535 | 90 | As is | 630 g |
| P-854742432 | 95 | As is | in stock |
| P-500405209 | 98 | As is | by synthesis |
| P-889870509 | 95 | As is | by synthesis |
| P-424880868 | 90 | As is | in stock |
| P-896081176 | N/A | As is | 1.816 g |
| P-596770005 | 95 | As is | 2.225 kg |
| P-873222434 | 90 | As is | in stock |
| P-611456386 | 90 | As is | in stock |
| P-3180215 | 90 | As is | 459 mg |
| P-575294750 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.242 |
| logP | 1.9293 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 29.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.7355 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| 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 |
