Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6997954056
Compound
Show structures
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 | 17 USD | 95 | 8 working days | Get Quote |
| 5 mg | 17 USD | 95 | 8 working days | Get Quote |
| 10 mg | 17 USD | 95 | 8 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.
-
1
MCULE-2169847421
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6997954056.sdf |
| SMILES | MCULE-6997954056.smiles |
| Standard InChI | MCULE-6997954056.inchi |
| InChIKey | MCULE-6997954056.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904308782 | 90 | As is | by synthesis |
| P-489145763 | 97 | As is | in stock |
| P-864222779 | 95 | As is | by synthesis |
| P-901454008 | 95 | As is | by synthesis |
| P-851250608 | 95 | As is | by synthesis |
| P-34757445 | 90 | As is | by synthesis |
| P-580402926 | 95 | As is | by resynthesis (? - ? days) |
| P-580424575 | 95 | As is | by resynthesis (? - ? days) |
| P-579803098 | 90 | As is | in stock |
| P-870655756 | 97 | As is | in stock |
| P-505542933 | 95 | As is | in stock |
| P-580006426 | 95 | As is | in stock |
| P-580044965 | 90 | As is | in stock |
| P-488546883 | 90 | As is | in stock |
| P-579616500 | 99 | As is | 140 g |
| P-856043102 | 90 | As is | 2 g |
| P-31161473 | 90 | As is | 2 g |
| P-852523597 | N/A | As is | in stock |
| P-896072050 | 95 | As is | in stock |
| P-608271091 | 98 | As is | in stock |
| P-620224837 | 95 | As is | 1000 mg |
| P-620070335 | 90 | As is | 1000 mg |
| P-500382622 | 98 | As is | by synthesis |
| P-1263958438 | 90 | As is | in stock |
| P-34185352 | 90 | As is | in stock |
| P-596714942 | 90 | As is | 100 mg |
| P-906772446 | 98 | As is | by synthesis |
| P-611372616 | 90 | As is | in stock |
| P-611464931 | 90 | As is | in stock |
| P-480869697 | 95 | As is | in stock |
| P-575297458 | 95 | As is | in stock |
| P-892854226 | 97 | Main component | in stock |
| P-867358734 | N/A | Main component | by synthesis |
| P-597013552 | 95 | Main component | in stock |
| P-489198218 | 97 | Main component | in stock |
| P-864220497 | 95 | Main component | by synthesis |
| P-901519466 | 95 | Main component | by synthesis |
| P-580421028 | 95 | Main component | by resynthesis (? - ? days) |
| P-504609315 | 90 | Main component | by synthesis |
| P-492217355 | 95 | Main component | in stock |
| P-488554146 | 90 | Main component | in stock |
| P-856043101 | 90 | Main component | 10 g |
| P-31277284 | 90 | Main component | 10 g |
| P-852510943 | N/A | Main component | in stock |
| P-621105303 | 90 | Main component | by synthesis |
| P-500404104 | 98 | Main component | by synthesis |
| P-859995181 | 95 | Main component | by synthesis |
| P-19554002 | 90 | Main component | in stock |
| P-611372615 | 90 | Main component | in stock |
| P-867661201 | 96 | Main component as a main component | in stock |
| P-580238914 | 95 | Main component as a main component | by synthesis |
| P-489163282 | 97 | Main component as a main component | in stock |
| P-864126890 | 95 | Main component as a main component | in stock |
| P-481175256 | 95 | Main component as a main component | 446.5 g |
| P-901453686 | 95 | Main component as a main component | by synthesis |
| P-851281687 | 95 | Main component as a main component | by synthesis |
| P-580421030 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-505505834 | 95 | Main component as a main component | in stock |
| P-579630799 | 98 | Main component as a main component | by resynthesis (? - ? days) |
| P-852442850 | N/A | Main component as a main component | in stock |
| P-620223307 | 95 | Main component as a main component | 0 mg |
| P-500374152 | 97 | Main component as a main component | by synthesis |
| P-500405671 | 98 | Main component as a main component | by synthesis |
| P-611372617 | 90 | Main component as a main component | in stock |
| P-575297468 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 233.134 |
| logP | 2.9454 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 69.7757 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
