Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5559548971
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.
| Name | File |
|---|---|
| SDF | MCULE-5559548971.sdf |
| SMILES | MCULE-5559548971.smiles |
| Standard InChI | MCULE-5559548971.inchi |
| InChIKey | MCULE-5559548971.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886630000 | 90 | As is | in stock |
| P-901203045 | N/A | As is | by synthesis |
| P-613845892 | 95 | As is | in stock |
| P-903175816 | 90 | As is | 1000 mg |
| P-904308377 | 90 | As is | by synthesis |
| P-895950370 | 95 | As is | by resynthesis (? - ? days) |
| P-596453399 | 90 | As is | 1000 mg |
| P-596517540 | 90 | As is | 1000 mg |
| P-889810121 | 95 | As is | by synthesis |
| P-901426809 | 95 | As is | by synthesis |
| P-861388983 | 95 | As is | by synthesis |
| P-502505853 | 95 | As is | by synthesis |
| P-492220166 | 95 | As is | in stock |
| P-488548254 | 90 | As is | in stock |
| P-13594916 | 95 | As is | 300 mg |
| P-596595149 | 90 | As is | 5 g |
| P-852402612 | N/A | As is | in stock |
| P-854844876 | 95 | As is | by synthesis |
| P-492284941 | 95 | As is | 924 mg |
| P-12915701 | 90 | As is | 924 mg |
| P-888841744 | N/A | As is | by synthesis |
| P-454367328 | 92 | As is | in stock |
| P-13739597 | 92 | As is | 300 mg |
| P-856065046 | 95 | As is | in stock |
| P-605209031 | 90 | As is | in stock |
| P-904082547 | 95 | As is | 0 mg |
| P-502335009 | 90 | As is | in stock |
| P-903656083 | 94 | As is | by resynthesis (? - ? days) |
| P-906807621 | 95 | As is | by synthesis |
| P-611608196 | 90 | As is | in stock |
| P-25623824 | 90 | As is | 1000 mg |
| P-464684069 | 90 | As is | 1000 mg |
| P-893736811 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.299 |
| logP | 1.9655 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 47.72 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.4164 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
