MCULE-4419819481-0
- 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 | 23 USD | 98 | 22 working days | Get Quote |
| 5 mg | 23 USD | 98 | 22 working days | Get Quote |
| 10 mg | 23 USD | 98 | 22 working days | Get Quote |
- 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-4101569242-0
- Component type: Main
-
MCULE-4974581118-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4419819481-0.sdf |
| SMILES | MCULE-4419819481-0.smiles |
| Standard InChI | MCULE-4419819481-0.inchi |
| InChIKey | MCULE-4419819481-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867638276 | 98 | As is | in stock |
| P-875803563 | N/A | As is | in stock |
| P-869364521 | 95 | As is | in stock |
| P-903159831 | 98 | As is | 20 g |
| P-606888131 | N/A | As is | in stock |
| P-865921792 | 98 | As is | 20 g |
| P-864208901 | 95 | As is | in stock |
| P-619600822 | 98 | As is | 1.35 g |
| P-901416399 | 95 | As is | by synthesis |
| P-870581911 | 98 | As is | in stock |
| P-870647460 | N/A | As is | in stock |
| P-870648191 | N/A | As is | in stock |
| P-890217336 | 90 | As is | in stock |
| P-590339765 | 90 | As is | 1000 mg |
| P-870639400 | 97 | As is | 984 mg |
| P-855995286 | 97 | As is | 884 mg |
| P-596601900 | 97 | As is | 5 g |
| P-596603207 | 95 | As is | 100 mg |
| P-596562640 | 97 | As is | 1000 mg |
| P-888852335 | N/A | As is | in stock |
| P-859994258 | 95 | As is | by synthesis |
| P-906902325 | N/A | As is | in stock |
| P-906902367 | N/A | As is | in stock |
| P-906855279 | 97 | As is | by synthesis |
| P-906822268 | 96 | As is | by synthesis |
| P-906838794 | 98 | As is | by synthesis |
| P-906831632 | 98 | As is | by synthesis |
| P-906854163 | 97 | As is | by synthesis |
| P-906821680 | 98 | As is | by synthesis |
| P-906817074 | 98 | As is | by synthesis |
| P-906866492 | 98 | As is | by synthesis |
| P-906769992 | 97 | As is | by synthesis |
| P-906849531 | 97 | As is | by synthesis |
| P-906793040 | 98 | As is | by synthesis |
| P-906759761 | 98 | As is | by synthesis |
| P-906844782 | 97 | As is | by synthesis |
| P-906815359 | 95 | As is | by synthesis |
| P-906827416 | 98 | As is | by synthesis |
| P-906842010 | 97 | As is | by synthesis |
| P-906846108 | 97 | As is | by synthesis |
| P-906822051 | 97 | As is | by synthesis |
| P-906806180 | 98 | As is | by synthesis |
| P-906807721 | 95 | As is | by synthesis |
| P-906849718 | 97 | As is | by synthesis |
| P-906763703 | 99 | As is | by synthesis |
| P-906833595 | 97 | As is | by synthesis |
| P-868531963 | 95 | As is | in stock |
| P-867459763 | N/A | As a main component | by synthesis |
| P-31249190 | 90 | As a main component | 500 mg |
| P-903660590 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 190.241 |
| logP | 1.7303 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 62.04 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.7479 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

