MCULE-4018110321
- 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.
Name | File |
---|---|
SDF | MCULE-4018110321.sdf |
SMILES | MCULE-4018110321.smiles |
Standard InChI | MCULE-4018110321.inchi |
InChIKey | MCULE-4018110321.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867579339 | 98 | As is | in stock |
P-875738431 | N/A | As is | in stock |
P-869195263 | 95 | As is | in stock |
P-505351927 | 98 | As is | in stock |
P-869305833 | 99 | As is | in stock |
P-903068678 | 98 | As is | 7 kg |
P-905482173 | 98 | As is | 1000 g |
P-617065214 | N/A | As is | in stock |
P-606916710 | N/A | As is | in stock |
P-489160017 | 97 | As is | in stock |
P-489115499 | 97 | As is | in stock |
P-596951929 | 98 | As is | 4.5 kg |
P-494349744 | 95 | As is | 230.1 g |
P-864184130 | 95 | As is | in stock |
P-580711175 | 98 | As is | 2.205 kg |
P-893225703 | 95 | As is | in stock |
P-868592531 | 98 | As is | in stock |
P-905328128 | 98 | As is | 150 g |
P-861920036 | 98 | As is | 12.8536 kg |
P-505491922 | 95 | As is | in stock |
P-488550816 | 90 | As is | in stock |
P-454298747 | 95 | As is | 314 mg |
P-454391840 | 95 | As is | 250 g |
P-31207697 | 90 | As is | unavailable |
P-613276413 | 95 | As is | by synthesis |
P-878230117 | N/A | As is | 90 g |
P-904721364 | 90 | As is | in stock |
P-454369088 | 92 | As is | in stock |
P-500412228 | N/A | As is | by synthesis |
P-885523970 | 95 | As is | by synthesis |
P-579399611 | 90 | As is | in stock |
P-904092914 | 95 | As is | 3.255 kg |
P-502366540 | 90 | As is | in stock |
P-906771209 | 98 | As is | by synthesis |
P-611441150 | 90 | As is | in stock |
P-3026549 | 90 | As is | unavailable |
P-3228300 | 90 | As is | unavailable |
P-893943710 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 168.618 |
logP | 2.9327 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 17.07 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 46.4535 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 9 |
Heteroatoms | 2 |
N/O atoms | 1 |
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 |