Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5019467797-0
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 | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 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-7837191912-0
- Component type: Main
-
1
MCULE-1176533515-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5019467797-0.sdf |
| SMILES | MCULE-5019467797-0.smiles |
| Standard InChI | MCULE-5019467797-0.inchi |
| InChIKey | MCULE-5019467797-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893768854 | 95 | As is | by synthesis |
| P-867574519 | 98 | Main component | in stock |
| P-875734920 | 99 | Main component | in stock |
| P-1275180055 | 99 | Main component | in stock |
| P-1275154749 | 98 | Main component | in stock |
| P-903064559 | 99 | Main component | 2.90779 kg |
| P-1270385266 | 98 | Main component | in stock |
| P-580198775 | 95 | Main component | 14 g |
| P-606839103 | N/A | Main component | in stock |
| P-489176267 | 97 | Main component | in stock |
| P-596930799 | 99 | Main component | 105.79 g |
| P-579791231 | 95 | Main component | 2.6798 kg |
| P-864125795 | 95 | Main component | in stock |
| P-893235340 | 95 | Main component | in stock |
| P-851270651 | 95 | Main component | by synthesis |
| P-580415020 | 95 | Main component | by resynthesis (? - ? days) |
| P-905327653 | 99 | Main component | 2.23 kg |
| P-861918064 | 99 | Main component | 61.4977 kg |
| P-870655300 | N/A | Main component | in stock |
| P-502945829 | 90 | Main component | in stock |
| P-488549444 | 90 | Main component | in stock |
| P-580093153 | N/A | Main component | in stock |
| P-524164251 | 99 | Main component | 12.599 g |
| P-855992622 | 99 | Main component | 12.599 g |
| P-579613427 | 98 | Main component | in stock |
| P-856043299 | 90 | Main component | unavailable |
| P-31250564 | 90 | Main component | unavailable |
| P-613276316 | 95 | Main component | by synthesis |
| P-580514605 | 98 | Main component | in stock |
| P-1272562838 | 99 | Main component | 300 g |
| P-852379023 | 99 | Main component | by synthesis |
| P-620224560 | 95 | Main component | 1000 mg |
| P-620069904 | 90 | Main component | 1000 mg |
| P-888861226 | N/A | Main component | in stock |
| P-454371658 | 92 | Main component | in stock |
| P-500401107 | 98 | Main component | by synthesis |
| P-885528477 | 95 | Main component | by synthesis |
| P-613816854 | 95 | Main component | in stock |
| P-498719078 | 97 | Main component | 58.1857 kg |
| P-502367333 | 90 | Main component | in stock |
| P-1272896996 | 94 | Main component | by resynthesis (? - ? days) |
| P-906903320 | 98 | Main component | in stock |
| P-906778994 | 99 | Main component | by synthesis |
| P-611492399 | 90 | Main component | in stock |
| P-35131358 | 90 | Main component | 1.1 g |
| P-480953032 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 356.267 |
| logP | 4.4102 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 82.98 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 69.5218 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 9 |
| Heteroatoms | 10 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
