Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6829899775-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4777495633-0
- Component type: Main
-
MCULE-3529757276-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6829899775-0.sdf |
| SMILES | MCULE-6829899775-0.smiles |
| Standard InChI | MCULE-6829899775-0.inchi |
| InChIKey | MCULE-6829899775-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867641127 | N/A | As is | in stock |
| P-875807206 | N/A | As is | in stock |
| P-590418429 | 95 | As is | in stock |
| P-590418430 | 95 | As is | in stock |
| P-903165185 | 95 | As is | 2.5 g |
| P-489132467 | 97 | As is | in stock |
| P-596498939 | 90 | As is | unavailable |
| P-675062962 | 90 | As is | in stock |
| P-868555544 | 95 | As is | in stock |
| P-580758564 | 90 | As is | by synthesis |
| P-890217557 | 90 | As is | 1000 mg |
| P-590339988 | 90 | As is | 1000 mg |
| P-18809167 | 95 | As is | 17.775 g |
| P-454411220 | 95 | As is | 17.775 g |
| P-852420651 | N/A | As is | in stock |
| P-854866118 | 95 | As is | by synthesis |
| P-33464499 | 90 | As is | in stock |
| P-502331409 | 90 | As is | in stock |
| P-855302674 | 90 | As is | in stock |
| P-893805896 | 95 | As is | by synthesis |
| P-886654181 | 95 | As a main component | in stock |
| P-867673645 | 95 | As a main component | in stock |
| P-901286301 | N/A | As a main component | in stock |
| P-875848198 | N/A | As a main component | in stock |
| P-869236198 | 95 | As a main component | in stock |
| P-892794252 | 95 | As a main component | in stock |
| P-903232098 | 95 | As a main component | 5 g |
| P-903215475 | 95 | As a main component | 1000 mg |
| P-904766479 | N/A | As a main component | by synthesis |
| P-867718174 | N/A | As a main component | in stock |
| P-892192132 | 95 | As a main component | 5 g |
| P-892495315 | 90 | As a main component | 1000 mg |
| P-1263772222 | 95 | As a main component | by synthesis |
| P-889808037 | 95 | As a main component | by synthesis |
| P-862400257 | 95 | As a main component | 2.5 g |
| P-905588326 | 95 | As a main component | by synthesis |
| P-427940643 | 90 | As a main component | 100 mg |
| P-617652285 | 90 | As a main component | in stock |
| P-617650412 | 90 | As a main component | in stock |
| P-619849796 | 90 | As a main component | 60 mg |
| P-584595405 | 95 | As a main component | 7 g |
| P-861553660 | 95 | As a main component | by synthesis |
| P-868637036 | 95 | As a main component | in stock |
| P-34573127 | 90 | As a main component | by synthesis |
| P-580756154 | 90 | As a main component | by synthesis |
| P-580780144 | 90 | As a main component | by resynthesis (? - ? days) |
| P-580769245 | 90 | As a main component | in stock |
| P-579804257 | 90 | As a main component | in stock |
| P-580089595 | 95 | As a main component | 2.06 g |
| P-870569355 | 90 | As a main component | in stock |
| P-492241818 | 95 | As a main component | in stock |
| P-488553748 | 90 | As a main component | in stock |
| P-24458082 | 95 | As a main component | 300 mg |
| P-855953564 | 95 | As a main component | 100 mg |
| P-580492978 | N/A | As a main component | by synthesis |
| P-852383707 | N/A | As a main component | in stock |
| P-852399819 | N/A | As a main component | in stock |
| P-854886921 | 95 | As a main component | by synthesis |
| P-864076370 | 95 | As a main component | by synthesis |
| P-617666139 | 90 | As a main component | 2.06 g |
| P-620221370 | 95 | As a main component | 2.06 g |
| P-454374295 | 92 | As a main component | in stock |
| P-864655687 | 92 | As a main component | 300 mg |
| P-425010100 | 90 | As a main component | in stock |
| P-888435125 | 94 | As a main component | by resynthesis (? - ? days) |
| P-893880488 | 95 | As a main component | by synthesis |
| P-868521729 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 190.284 |
| logP | 3.2954 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.1024 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
