MCULE-8752609733-1
- 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 | 98 | 22 working days | Get Quote |
5 mg | 6 USD | 98 | 22 working days | Get Quote |
10 mg | 6 USD | 98 | 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-2795129925-0
- Component type: Main
-
1
MCULE-5646000632-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8752609733-1.sdf |
SMILES | MCULE-8752609733-1.smiles |
Standard InChI | MCULE-8752609733-1.inchi |
InChIKey | MCULE-8752609733-1.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-894654740 | 98 | As is | in stock |
P-867565276 | 98 | Main component | in stock |
P-875724841 | N/A | Main component | in stock |
P-869188003 | 98 | Main component | in stock |
P-535622738 | 99 | Main component | in stock |
P-903054143 | 99 | Main component | 24 kg |
P-893592392 | 90 | Main component | 655 mg |
P-606883609 | N/A | Main component | in stock |
P-872725740 | 98 | Main component | in stock |
P-901455250 | 95 | Main component | by synthesis |
P-452660391 | 98 | Main component | in stock |
P-868611459 | 98 | Main component | in stock |
P-579481237 | 95 | Main component | in stock |
P-905317462 | 98 | Main component | 114 g |
P-862121726 | 98 | Main component | 41.2106 kg |
P-608220534 | 98 | Main component | in stock |
P-505503642 | 95 | Main component | in stock |
P-580035431 | 90 | Main component | in stock |
P-580005024 | 95 | Main component | in stock |
P-889736408 | 95 | Main component | by resynthesis (? - ? days) |
P-856040650 | 90 | Main component | 10 g |
P-31273943 | 90 | Main component | 10 g |
P-613276200 | 95 | Main component | by synthesis |
P-862531533 | N/A | Main component | by synthesis |
P-901840395 | 95 | Main component | in stock |
P-854690936 | 95 | Main component | in stock |
P-474024446 | 95 | Main component | in stock |
P-608279153 | 98 | Main component | in stock |
P-621859317 | 90 | Main component | by synthesis |
P-26434184 | 90 | Main component | 1000 mg |
P-620224761 | 95 | Main component | 1000 mg |
P-888897407 | N/A | Main component | in stock |
P-885537066 | 95 | Main component | by synthesis |
P-579712067 | N/A | Main component | in stock |
P-525185524 | 95 | Main component | by synthesis |
P-869178083 | 95 | Main component | in stock |
P-892297986 | 95 | Main component | 1000 mg |
P-892346008 | 95 | Main component | 1000 mg |
P-502368113 | 90 | Main component | in stock |
P-893988089 | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 217.348 |
logP | 4.3158 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 10 |
PSA | 40.54 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 66.2969 |
Atoms | 42 |
Rings | 0 |
Heavy atoms | 15 |
Hydrogen atoms | 27 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |