Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4480524507
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 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-4480524507.sdf |
| SMILES | MCULE-4480524507.smiles |
| Standard InChI | MCULE-4480524507.inchi |
| InChIKey | MCULE-4480524507.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867599076 | 95 | As is | in stock |
| P-875757156 | N/A | As is | in stock |
| P-590359348 | 95 | As is | in stock |
| P-903091485 | 98 | As is | 625 g |
| P-893580268 | 90 | As is | 1.6569 kg |
| P-867712769 | N/A | As is | in stock |
| P-489201943 | 97 | As is | in stock |
| P-865912337 | 98 | As is | 500 g |
| P-869992432 | 90 | As is | 1000 mg |
| P-889579061 | 95 | As is | in stock |
| P-492254448 | 95 | As is | in stock |
| P-454635936 | 90 | As is | in stock |
| P-448836097 | 90 | As is | 7.995 g |
| P-436451736 | 95 | As is | in stock |
| P-578290274 | 90 | As is | in stock |
| P-901650989 | 95 | As is | in stock |
| P-580410047 | 95 | As is | by resynthesis (? - ? days) |
| P-861950231 | 95 | As is | 659.94 g |
| P-502471311 | 95 | As is | by synthesis |
| P-596603223 | 95 | As is | 100 mg |
| P-852380905 | N/A | As is | in stock |
| P-872527200 | 95 | As is | in stock |
| P-889870593 | 95 | As is | by synthesis |
| P-502340203 | 90 | As is | in stock |
| P-33578899 | 94 | As is | by resynthesis (? - ? days) |
| P-873063994 | 94 | As is | by resynthesis (? - ? days) |
| P-611563793 | 90 | As is | in stock |
| P-872753610 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 142.242 |
| logP | 1.4577 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.9744 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
