MCULE-5997199711-0
- 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 | 95 | 22 working days | Get Quote |
5 mg | 8 USD | 95 | 22 working days | Get Quote |
10 mg | 8 USD | 95 | 22 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-9471074673-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5997199711-0.sdf |
SMILES | MCULE-5997199711-0.smiles |
Standard InChI | MCULE-5997199711-0.inchi |
InChIKey | MCULE-5997199711-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867609840 | 95 | As is | in stock |
P-875769283 | N/A | As is | in stock |
P-869195637 | 98 | As is | in stock |
P-505389478 | 99 | As is | in stock |
P-505391094 | N/A | As is | in stock |
P-903108955 | 95 | As is | 5 g |
P-606935168 | N/A | As is | in stock |
P-596962204 | 95 | As is | 10 g |
P-580195931 | 98 | As is | in stock |
P-864173973 | 95 | As is | in stock |
P-580699306 | 95 | As is | 1.35 g |
P-893219149 | 95 | As is | in stock |
P-893232085 | 95 | As is | in stock |
P-617324286 | 90 | As is | in stock |
P-580450302 | 99 | As is | in stock |
P-868612098 | 95 | As is | in stock |
P-905315092 | 95 | As is | in stock |
P-870652556 | N/A | As is | in stock |
P-505525916 | 95 | As is | in stock |
P-524440351 | 97 | As is | 191 mg |
P-856023768 | 90 | As is | 2 g |
P-895215920 | 95 | As is | by synthesis |
P-854711833 | 95 | As is | in stock |
P-619674279 | 98 | As is | in stock |
P-500380801 | 98 | As is | by synthesis |
P-885534955 | 95 | As is | by synthesis |
P-617402242 | N/A | As is | in stock |
P-869163353 | 95 | As is | by synthesis |
P-892299330 | 95 | As is | 301 mg |
P-888658724 | 95 | As is | 301 mg |
P-502365765 | 90 | As is | in stock |
P-888594828 | 94 | As is | by resynthesis (? - ? days) |
P-906758122 | 98 | As is | by synthesis |
P-611470251 | 90 | As is | in stock |
P-854964324 | 90 | As is | in stock |
P-617793002 | 90 | As is | 5 mg |
P-615414556 | 95 | As is | in stock |
P-892864508 | N/A | Main component | in stock |
P-888700241 | N/A | Main component | in stock |
P-893453242 | 90 | Main component | 5.006 g |
P-851538106 | N/A | Main component | by synthesis |
P-896043325 | 95 | Main component | by synthesis |
P-901459671 | 95 | Main component | by synthesis |
P-881677021 | N/A | Main component | by resynthesis (? - ? days) |
P-905412472 | 98 | Main component | 5.12 g |
P-852467898 | N/A | Main component | in stock |
P-1263157632 | 95 | Main component | by synthesis |
P-895185239 | 95 | Main component | in stock |
P-474024124 | 95 | Main component | in stock |
P-608489518 | 95 | Main component | by synthesis |
P-869125030 | 95 | Main component | by synthesis |
P-904246921 | 95 | Main component | unavailable |
P-888638686 | 95 | Main component | 45 mg |
P-873229695 | 90 | Main component | in stock |
P-892940583 | N/A | Main component as a main component | by synthesis |
P-892940586 | N/A | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 316.866 |
logP | 4.742 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 6.48 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 100.729 |
Atoms | 47 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 25 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |