Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6068864695-0
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 | 11 USD | 97 | 20 working days | Get Quote |
| 5 mg | 11 USD | 97 | 20 working days | Get Quote |
| 10 mg | 11 USD | 97 | 20 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-4991429316-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6068864695-0.sdf |
| SMILES | MCULE-6068864695-0.smiles |
| Standard InChI | MCULE-6068864695-0.inchi |
| InChIKey | MCULE-6068864695-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-906794418 | 98 | As is | by synthesis |
| P-597016376 | 98 | Main component | unavailable |
| P-1275181098 | 98 | Main component | in stock |
| P-1275185455 | 98 | Main component | in stock |
| P-1275158985 | 95 | Main component | in stock |
| P-889772762 | 98 | Main component | in stock |
| P-500416953 | 98 | Main component | by synthesis |
| P-893236948 | 95 | Main component | in stock |
| P-505572718 | 98 | Main component | in stock |
| P-674290990 | 90 | Main component | in stock |
| P-1272253485 | 90 | Main component | 28 mg |
| P-620805394 | 95 | Main component | in stock |
| P-675062224 | 90 | Main component | in stock |
| P-868577036 | 95 | Main component | in stock |
| P-579478063 | 95 | Main component | in stock |
| P-580089450 | 95 | Main component | 93.735 g |
| P-579803381 | 90 | Main component | in stock |
| P-870652970 | 98 | Main component | in stock |
| P-675335195 | 95 | Main component | by synthesis |
| P-870580125 | 95 | Main component | in stock |
| P-870568939 | 90 | Main component | in stock |
| P-488555976 | 92 | Main component | in stock |
| P-873242070 | 97 | Main component | 50 mg |
| P-856008475 | 90 | Main component | 1.89 g |
| P-588250673 | N/A | Main component | by synthesis |
| P-852607862 | N/A | Main component | by synthesis |
| P-854692913 | 95 | Main component | in stock |
| P-895215839 | 95 | Main component | by synthesis |
| P-584625958 | 95 | Main component | in stock |
| P-608277957 | 98 | Main component | in stock |
| P-620221328 | 95 | Main component | 93.79 g |
| P-617666054 | 90 | Main component | 93.79 g |
| P-445352451 | 92 | Main component | 300 mg |
| P-500371374 | 98 | Main component | by synthesis |
| P-1263958620 | 90 | Main component | in stock |
| P-856072788 | 95 | Main component | in stock |
| P-675098638 | 90 | Main component | in stock |
| P-579710886 | 98 | Main component | in stock |
| P-869175676 | 95 | Main component | in stock |
| P-892288154 | 95 | Main component | unavailable |
| P-892219837 | 95 | Main component | 151 mg |
| P-892314366 | 95 | Main component | 151 mg |
| P-502370851 | 90 | Main component | in stock |
| P-1272896324 | 94 | Main component | by resynthesis (? - ? days) |
| P-873019833 | 90 | Main component | 190 mg |
| P-906780698 | 99 | Main component | by synthesis |
| P-611475928 | 90 | Main component | in stock |
| P-852026542 | 90 | Main component | 1.837 g |
| P-852060958 | 90 | Main component | 1.837 g |
| P-575297288 | 97 | Main component | in stock |
| P-875830508 | 95 | Main component as a main component | in stock |
| P-1275180758 | 98 | Main component as a main component | in stock |
| P-1275187639 | 97 | Main component as a main component | in stock |
| P-872724310 | 98 | Main component as a main component | in stock |
| P-580243909 | 95 | Main component as a main component | by synthesis |
| P-489133843 | 97 | Main component as a main component | in stock |
| P-596972789 | 97 | Main component as a main component | 1.5 kg |
| P-494418754 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864126065 | 95 | Main component as a main component | in stock |
| P-901463817 | 95 | Main component as a main component | by synthesis |
| P-851268299 | 95 | Main component as a main component | by synthesis |
| P-868577391 | 98 | Main component as a main component | in stock |
| P-868611358 | 98 | Main component as a main component | in stock |
| P-861987890 | 98 | Main component as a main component | 1.5 kg |
| P-505515222 | 95 | Main component as a main component | in stock |
| P-596583080 | 97 | Main component as a main component | 25 g |
| P-855992642 | 98 | Main component as a main component | 100 mg |
| P-852444648 | 95 | Main component as a main component | by synthesis |
| P-854692629 | 95 | Main component as a main component | in stock |
| P-896627658 | 95 | Main component as a main component | by synthesis |
| P-584625957 | 95 | Main component as a main component | in stock |
| P-878641660 | 98 | Main component as a main component | in stock |
| P-579710949 | 98 | Main component as a main component | in stock |
| P-869178066 | 95 | Main component as a main component | in stock |
| P-892263061 | 95 | Main component as a main component | 1000 mg |
| P-892297482 | 95 | Main component as a main component | 2 g |
| P-892344412 | 95 | Main component as a main component | 2 g |
| P-33405292 | 90 | Main component as a main component | in stock |
| P-873223250 | 90 | Main component as a main component | in stock |
| P-611475929 | 90 | Main component as a main component | in stock |
| P-1271606456 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 317.291 |
| logP | -1.0867 |
| H-bond acceptors | 9 |
| H-bond donors | 7 |
| Rotatable bonds | 6 |
| PSA | 167.55 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 74.2177 |
| Atoms | 41 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
