Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5598841560
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 | 39 USD | 95 | 15 working days | Get Quote |
| 5 mg | 40 USD | 98 | 15 working days | Get Quote |
| 10 mg | 40 USD | 98 | 15 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.
-
MCULE-7822282458
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5598841560.sdf |
| SMILES | MCULE-5598841560.smiles |
| Standard InChI | MCULE-5598841560.inchi |
| InChIKey | MCULE-5598841560.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637149 | N/A | As is | in stock |
| P-875802396 | N/A | As is | in stock |
| P-590364000 | 95 | As is | in stock |
| P-903157296 | 98 | As is | 30 g |
| P-904309391 | 90 | As is | 20 g |
| P-899962740 | N/A | As is | in stock |
| P-596384663 | 90 | As is | 1000 mg |
| P-901335250 | 95 | As is | in stock |
| P-901920908 | 98 | As is | 9.851 g |
| P-4890088 | 90 | As is | 50 mg |
| P-454619350 | 90 | As is | in stock |
| P-3911662 | 90 | As is | 72.995 g |
| P-436446070 | 95 | As is | 40 g |
| P-20004378 | 90 | As is | in stock |
| P-868634214 | 95 | As is | in stock |
| P-34781000 | 90 | As is | by synthesis |
| P-861930603 | 98 | As is | 20 g |
| P-12597436 | 95 | As is | 86 mg |
| P-596589151 | 90 | As is | 1000 mg |
| P-852396743 | N/A | As is | in stock |
| P-895225483 | 95 | As is | in stock |
| P-885524627 | 95 | As is | by synthesis |
| P-23892846 | 90 | As is | in stock |
| P-454106916 | 90 | As is | 21 mg |
| P-873212715 | 90 | As is | in stock |
| P-22446904 | 90 | As is | 43 mg |
| P-906880805 | 95 | As is | by synthesis |
| P-855235557 | 90 | As is | in stock |
| P-3230622 | 90 | As is | 3.219 g |
| P-1013545 | 90 | As is | 3.219 g |
| P-893871166 | 95 | As is | by synthesis |
| P-1263082856 | N/A | As a main component | by synthesis |
| P-905527245 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 293.315 |
| logP | 3.9987 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 59.42 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.4373 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 15 |
| 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 |
