MCULE-5533158279
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-5533158279.sdf |
SMILES | MCULE-5533158279.smiles |
Standard InChI | MCULE-5533158279.inchi |
InChIKey | MCULE-5533158279.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-892871297 | 95 | As is | in stock |
P-889948092 | N/A | As is | by synthesis |
P-869197267 | 95 | As is | in stock |
P-903208932 | 95 | As is | 1000 mg |
P-851638864 | N/A | As is | by synthesis |
P-901359074 | 95 | As is | by synthesis |
P-591174119 | 95 | As is | by synthesis |
P-504735008 | 85 | As is | 5 mg |
P-577180810 | 90 | As is | by synthesis |
P-454755518 | 90 | As is | in stock |
P-607763002 | 90 | As is | 26 mg |
P-436462841 | 95 | As is | 2 g |
P-19918129 | 90 | As is | in stock |
P-34525330 | 90 | As is | in stock |
P-580775519 | 90 | As is | by resynthesis (? - ? days) |
P-580764990 | 90 | As is | in stock |
P-488547806 | 90 | As is | in stock |
P-13596406 | 95 | As is | 300 mg |
P-596590337 | 90 | As is | 1000 mg |
P-588249616 | N/A | As is | by synthesis |
P-852433608 | N/A | As is | in stock |
P-854859986 | 95 | As is | by synthesis |
P-454371075 | 92 | As is | in stock |
P-445292342 | 92 | As is | 300 mg |
P-856063551 | 95 | As is | in stock |
P-23858386 | 90 | As is | in stock |
P-502341899 | 90 | As is | in stock |
P-22497184 | 90 | As is | 99 mg |
P-855227940 | 90 | As is | in stock |
P-3234608 | 90 | As is | 2.284 g |
P-25155023 | 90 | As is | 2.284 g |
P-893824128 | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 266.137 |
logP | 3.1657 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 43.84 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.0464 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |