Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8831990429-0
Structure
Show compound
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 | 31 USD | 95 | 7 working days | Get Quote |
| 5 mg | 49 USD | 95 | 7 working days | Get Quote |
| 10 mg | 70 USD | 95 | 7 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.
-
1
MCULE-6760843713-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8831990429-0.sdf |
| SMILES | MCULE-8831990429-0.smiles |
| Standard InChI | MCULE-8831990429-0.inchi |
| InChIKey | MCULE-8831990429-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869253537 | 95 | As is | by resynthesis (? - ? days) |
| P-893554604 | 90 | As is | 11.76 g |
| P-1270298969 | 98 | As is | in stock |
| P-888829630 | 98 | As is | 500 mg |
| P-1273269320 | 95 | As is | by resynthesis (? - ? days) |
| P-889592925 | 95 | As is | in stock |
| P-901563328 | 95 | As is | by synthesis |
| P-887207414 | 95 | As is | by synthesis |
| P-873245056 | 97 | As is | 5 mg |
| P-854719802 | 95 | As is | in stock |
| P-1263156486 | 95 | As is | by synthesis |
| P-1264432826 | 95 | As is | in stock |
| P-1271697884 | 98 | As is | in stock |
| P-892793294 | 95 | Main component | by resynthesis (? - ? days) |
| P-1264057777 | 99 | Main component | in stock |
| P-893611816 | 90 | Main component | 6.526 g |
| P-1270356053 | 98 | Main component | in stock |
| P-888813998 | 95 | Main component | 2 g |
| P-889592916 | 95 | Main component | in stock |
| P-901479971 | 95 | Main component | by synthesis |
| P-580381697 | N/A | Main component | by resynthesis (? - ? days) |
| P-873244046 | 97 | Main component | 5 mg |
| P-854711609 | 95 | Main component | in stock |
| P-1263156300 | 95 | Main component | by synthesis |
| P-875883569 | 95 | Main component | in stock |
| P-491318699 | 95 | Main component | by synthesis |
| P-904244614 | 95 | Main component | unavailable |
| P-906839752 | 98 | Main component | by synthesis |
| P-1271675496 | 98 | Main component | in stock |
| P-892784018 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-893606618 | 90 | Main component as a main component | 2.9 g |
| P-1270311239 | 98 | Main component as a main component | in stock |
| P-873299801 | 98 | Main component as a main component | 2.5 g |
| P-1273261001 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889789130 | 95 | Main component as a main component | in stock |
| P-901527875 | 95 | Main component as a main component | by synthesis |
| P-851250652 | 95 | Main component as a main component | by synthesis |
| P-1273111967 | 95 | Main component as a main component | 100 mg |
| P-852523640 | 95 | Main component as a main component | by synthesis |
| P-854698246 | 95 | Main component as a main component | by synthesis |
| P-872675717 | 95 | Main component as a main component | in stock |
| P-892291596 | 95 | Main component as a main component | 250 mg |
| P-1271684254 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 363.281 |
| logP | 4.3434 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.16 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 108.8157 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
