MCULE-1878201676
- 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 | 36 USD | 95 | 26 working days | Get Quote |
5 mg | 36 USD | 95 | 26 working days | Get Quote |
10 mg | 41 USD | 95 | 26 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-1878201676.sdf |
SMILES | MCULE-1878201676.smiles |
Standard InChI | MCULE-1878201676.inchi |
InChIKey | MCULE-1878201676.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-852095830 | 95 | As is | by synthesis |
P-901270080 | N/A | As is | in stock |
P-894641313 | 95 | As is | in stock |
P-851909288 | N/A | As is | by synthesis |
P-901347846 | 95 | As is | by synthesis |
P-591040016 | 95 | As is | by synthesis |
P-4961019 | 90 | As is | 100 mg |
P-619928052 | 90 | As is | by synthesis |
P-436447300 | 95 | As is | 30 g |
P-19958920 | 90 | As is | in stock |
P-868636815 | 95 | As is | in stock |
P-34488262 | 90 | As is | in stock |
P-580393148 | N/A | As is | by resynthesis (? - ? days) |
P-492222739 | 95 | As is | in stock |
P-596590602 | 90 | As is | 5 g |
P-852397602 | N/A | As is | in stock |
P-863882239 | 95 | As is | by synthesis |
P-12900288 | 90 | As is | 2.162 g |
P-492284274 | 95 | As is | 2.162 g |
P-885519338 | 95 | As is | by synthesis |
P-34137029 | 90 | As is | in stock |
P-22810961 | 90 | As is | in stock |
P-502339044 | 90 | As is | in stock |
P-888432901 | 94 | As is | by resynthesis (? - ? days) |
P-855302002 | 90 | As is | in stock |
P-1037491 | 90 | As is | 3.47 g |
P-3235258 | 90 | As is | 3.47 g |
Property | Value |
---|---|
Components | 1 |
Mass | 311.156 |
logP | 4.3935 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 35.53 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 79.3205 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |