MCULE-5339919477
- 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 | 30 USD | 95 | 7 working days | Get Quote |
5 mg | 67 USD | 95 | 7 working days | Get Quote |
10 mg | 108 USD | 98 | 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-9912891466
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5339919477.sdf |
SMILES | MCULE-5339919477.smiles |
Standard InChI | MCULE-5339919477.inchi |
InChIKey | MCULE-5339919477.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-886536012 | 95 | As is | in stock |
P-890142035 | N/A | As is | in stock |
P-903041099 | 95 | As is | 200 mg |
P-893469015 | 90 | As is | 999 mg |
P-895094131 | 98 | As is | 75 mg |
P-889559947 | 95 | As is | in stock |
P-905459645 | 95 | As is | in stock |
P-896540247 | 98 | As is | in stock |
P-901566368 | 95 | As is | by synthesis |
P-860799820 | 98 | As is | in stock |
P-861503234 | 95 | As is | by synthesis |
P-563614503 | 95 | As is | 100 mg |
P-1263153397 | 95 | As is | by synthesis |
P-895182628 | 95 | As is | in stock |
P-474023702 | 95 | As is | in stock |
P-888174737 | 98 | As is | by synthesis |
P-869162033 | 95 | As is | by synthesis |
P-892297008 | 95 | As is | unavailable |
P-888657428 | 95 | As is | 94 mg |
P-893764029 | 95 | As is | by synthesis |
P-886614322 | 98 | Main component | in stock |
P-890158407 | N/A | Main component | in stock |
P-902995899 | 95 | Main component | in stock |
P-903154113 | 99 | Main component | 750 mg |
P-899963304 | N/A | Main component | in stock |
P-881102668 | N/A | Main component | 2 g |
P-901335052 | 95 | Main component | in stock |
P-901924483 | 99 | Main component | 1.313 g |
P-860799627 | 98 | Main component | in stock |
P-905259111 | 95 | Main component | by synthesis |
P-675215514 | 95 | Main component | in stock |
P-1263153396 | 95 | Main component | by synthesis |
P-895182623 | 95 | Main component | in stock |
P-474023699 | 95 | Main component | in stock |
P-878642430 | 98 | Main component | in stock |
P-894006234 | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 457.947 |
logP | 5.8152 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 11 |
PSA | 90.9 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 127.1954 |
Atoms | 60 |
Rings | 3 |
Heavy atoms | 32 |
Hydrogen atoms | 28 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |