MCULE-7707647171
- 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 | 14 working days | Get Quote |
5 mg | 6 USD | 98 | 14 working days | Get Quote |
10 mg | 6 USD | 98 | 14 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-7707647171.sdf |
SMILES | MCULE-7707647171.smiles |
Standard InChI | MCULE-7707647171.inchi |
InChIKey | MCULE-7707647171.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867544568 | 98 | As is | in stock |
P-875701741 | N/A | As is | in stock |
P-590396649 | 98 | As is | in stock |
P-903026240 | 98 | As is | 600 g |
P-580267241 | 95 | As is | by synthesis |
P-617061865 | N/A | As is | in stock |
P-606864821 | N/A | As is | in stock |
P-489193735 | 97 | As is | in stock |
P-596939348 | 98 | As is | 300 g |
P-494322842 | 95 | As is | 313 g |
P-864094608 | 95 | As is | in stock |
P-580696085 | 98 | As is | 166.25 g |
P-901458171 | 95 | As is | by synthesis |
P-577155342 | 90 | As is | by synthesis |
P-505594426 | 97 | As is | in stock |
P-851271538 | 95 | As is | by synthesis |
P-868581068 | 98 | As is | in stock |
P-580292323 | N/A | As is | by resynthesis (? - ? days) |
P-905329603 | 98 | As is | 7 g |
P-861928653 | 98 | As is | 895.007 g |
P-505518786 | 95 | As is | in stock |
P-18812436 | 97 | As is | 940 mg |
P-454402787 | 97 | As is | 940 mg |
P-615638488 | 95 | As is | in stock |
P-580480096 | 97 | As is | by synthesis |
P-852381157 | N/A | As is | in stock |
P-854741127 | 95 | As is | in stock |
P-500371799 | 98 | As is | by synthesis |
P-885548974 | 95 | As is | by synthesis |
P-596771833 | 98 | As is | 2.70273 kg |
P-502363339 | 90 | As is | in stock |
P-906759941 | 98 | As is | by synthesis |
P-611368503 | 90 | As is | in stock |
P-615401520 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 137.111 |
logP | 1.40298 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 44.02 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 33.138 |
Atoms | 14 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 4 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |