Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5902080067-0
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-1833696438-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5902080067-0.sdf |
| SMILES | MCULE-5902080067-0.smiles |
| Standard InChI | MCULE-5902080067-0.inchi |
| InChIKey | MCULE-5902080067-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588919 | 97 | As is | in stock |
| P-875748012 | N/A | As is | in stock |
| P-881661508 | 95 | As is | in stock |
| P-505388663 | 98 | As is | in stock |
| P-903079125 | 97 | As is | 800 g |
| P-580240581 | 95 | As is | by synthesis |
| P-856058188 | 95 | As is | by synthesis |
| P-606914039 | N/A | As is | in stock |
| P-489154460 | 97 | As is | in stock |
| P-596955421 | 97 | As is | 3 kg |
| P-895936660 | 95 | As is | by resynthesis (? - ? days) |
| P-864107460 | 95 | As is | in stock |
| P-481175226 | 95 | As is | 25 g |
| P-580716988 | 97 | As is | 645 g |
| P-851272718 | 95 | As is | by synthesis |
| P-868577410 | 97 | As is | in stock |
| P-580279945 | 95 | As is | by resynthesis (? - ? days) |
| P-579719876 | N/A | As is | by resynthesis (? - ? days) |
| P-905339861 | 98 | As is | 120 g |
| P-862002137 | 98 | As is | 640.234 g |
| P-505530647 | 95 | As is | in stock |
| P-502550841 | 95 | As is | by synthesis |
| P-454329136 | 95 | As is | 980 mg |
| P-563479564 | 95 | As is | 1000 mg |
| P-563466829 | 97 | As is | 1000 mg |
| P-454407017 | 95 | As is | 500 g |
| P-613283757 | 95 | As is | by synthesis |
| P-580490176 | N/A | As is | by synthesis |
| P-852443553 | N/A | As is | in stock |
| P-854731809 | 95 | As is | in stock |
| P-500405573 | 98 | As is | by synthesis |
| P-885544035 | 95 | As is | by synthesis |
| P-851379130 | 95 | As is | 1.28 kg |
| P-502329616 | 90 | As is | in stock |
| P-855056808 | 90 | As is | in stock |
| P-667020848 | 95 | As is | in stock |
| P-612890259 | N/A | As a main component | by synthesis |
| P-615710361 | 95 | As a main component | in stock |
| P-893521898 | 90 | As a main component | 7 g |
| P-851801955 | N/A | As a main component | by synthesis |
| P-489233616 | 97 | As a main component | in stock |
| P-864100226 | 95 | As a main component | in stock |
| P-591095467 | 95 | As a main component | by synthesis |
| P-617648380 | 90 | As a main component | in stock |
| P-584604607 | 95 | As a main component | 13 g |
| P-851300736 | 95 | As a main component | by synthesis |
| P-861450262 | 95 | As a main component | by synthesis |
| P-563532810 | 95 | As a main component | 5 g |
| P-563408086 | 95 | As a main component | 1000 mg |
| P-563407860 | 95 | As a main component | 1000 mg |
| P-852422386 | N/A | As a main component | in stock |
| P-854924521 | 95 | As a main component | by synthesis |
| P-611560297 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 128.172 |
| logP | 0.5004 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 38.4661 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 12 |
| 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 |
