Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4590406717
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 | 11 USD | 97 | 20 working days | Get Quote |
| 5 mg | 11 USD | 97 | 20 working days | Get Quote |
| 10 mg | 11 USD | 97 | 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-4590406717.sdf |
| SMILES | MCULE-4590406717.smiles |
| Standard InChI | MCULE-4590406717.inchi |
| InChIKey | MCULE-4590406717.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579363 | 97 | As is | in stock |
| P-875737734 | N/A | As is | in stock |
| P-579762278 | 98 | As is | in stock |
| P-903067823 | 98 | As is | 75 g |
| P-893487286 | 90 | As is | 5.43083 kg |
| P-901166537 | 97 | As is | in stock |
| P-606953296 | N/A | As is | in stock |
| P-596951695 | 97 | As is | 100 g |
| P-494427084 | 95 | As is | by resynthesis (? - ? days) |
| P-864161435 | 95 | As is | in stock |
| P-1263295378 | 95 | As is | 6.5 g |
| P-590598926 | 97 | As is | 31 g |
| P-454733409 | 90 | As is | in stock |
| P-436473404 | 95 | As is | in stock |
| P-34859195 | 90 | As is | in stock |
| P-851306947 | 95 | As is | by synthesis |
| P-868611894 | 97 | As is | in stock |
| P-580417017 | 95 | As is | by resynthesis (? - ? days) |
| P-905330440 | 98 | As is | 61 g |
| P-861935349 | 98 | As is | 260.155 g |
| P-492229774 | 95 | As is | in stock |
| P-870640434 | 97 | As is | 100 mg |
| P-596572237 | 97 | As is | 25 g |
| P-615650302 | 95 | As is | in stock |
| P-580480399 | N/A | As is | by synthesis |
| P-852425727 | N/A | As is | in stock |
| P-35292275 | 90 | As is | 1.114 kg |
| P-865619398 | 95 | As is | in stock |
| P-492278033 | 95 | As is | 1.5 g |
| P-12472196 | 90 | As is | 1.5 g |
| P-500402677 | 99 | As is | by synthesis |
| P-856066140 | 95 | As is | in stock |
| P-502326592 | 90 | As is | in stock |
| P-22463240 | 90 | As is | 1000 mg |
| P-906769838 | 98 | As is | by synthesis |
| P-611385729 | 90 | As is | in stock |
| P-580449769 | 97 | As is | in stock |
| P-893937518 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.183 |
| logP | 1.4325 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.8568 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
