MCULE-3775097648
- 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 | 40 USD | 90 | 22 working days | Get Quote |
5 mg | 58 USD | 90 | 22 working days | Get Quote |
10 mg | 74 USD | 90 | 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.
Name | File |
---|---|
SDF | MCULE-3775097648.sdf |
SMILES | MCULE-3775097648.smiles |
Standard InChI | MCULE-3775097648.inchi |
InChIKey | MCULE-3775097648.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867405207 | N/A | As is | by synthesis |
P-894666959 | 95 | As is | in stock |
P-851457384 | N/A | As is | by synthesis |
P-590781250 | 97 | As is | by synthesis |
P-901506694 | 95 | As is | by synthesis |
P-504713098 | 85 | As is | 5 mg |
P-454756314 | 90 | As is | in stock |
P-607694961 | 90 | As is | 28 mg |
P-34458826 | 90 | As is | in stock |
P-580776034 | 90 | As is | by resynthesis (? - ? days) |
P-580765456 | 90 | As is | in stock |
P-580472568 | N/A | As is | by synthesis |
P-854860043 | 95 | As is | by synthesis |
P-491128626 | 95 | As is | by synthesis |
P-23859100 | 90 | As is | in stock |
P-33465550 | 90 | As is | in stock |
P-502342283 | 90 | As is | in stock |
P-1144022 | 90 | As is | 1.036 g |
P-596528024 | 90 | As is | 1.036 g |
Property | Value |
---|---|
Components | 1 |
Mass | 188.614 |
logP | 1.0766 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 72.94 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 44.3616 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 9 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |