MCULE-9073649637
- 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 | 7 USD | 97 | 14 working days | Get Quote |
5 mg | 7 USD | 97 | 14 working days | Get Quote |
10 mg | 7 USD | 97 | 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-9073649637.sdf |
SMILES | MCULE-9073649637.smiles |
Standard InChI | MCULE-9073649637.inchi |
InChIKey | MCULE-9073649637.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867567376 | 98 | As is | in stock |
P-875727406 | N/A | As is | in stock |
P-869187174 | 95 | As is | in stock |
P-505350845 | 98 | As is | in stock |
P-903056290 | 97 | As is | 300 g |
P-606831345 | N/A | As is | in stock |
P-489241604 | 97 | As is | in stock |
P-597008911 | 97 | As is | 700 g |
P-864123026 | 95 | As is | in stock |
P-674399965 | 98 | As is | 135 g |
P-901454097 | 95 | As is | by synthesis |
P-448713391 | 90 | As is | 136 mg |
P-425287953 | 90 | As is | in stock |
P-580301689 | 95 | As is | by resynthesis (? - ? days) |
P-905323447 | 95 | As is | 5 g |
P-12498067 | 95 | As is | 176 mg |
P-856008369 | 97 | As is | 100 mg |
P-454396341 | 97 | As is | 25 g |
P-615639379 | 95 | As is | in stock |
P-856044081 | 90 | As is | 5 g |
P-31175136 | 90 | As is | 5 g |
P-428081447 | 90 | As is | 1.196 kg |
P-13282768 | 92 | As is | 176 mg |
P-885534718 | 95 | As is | by synthesis |
P-579245690 | 90 | As is | in stock |
P-896078204 | N/A | As is | 4.957 g |
P-502330313 | 90 | As is | in stock |
P-33713761 | 94 | As is | by resynthesis (? - ? days) |
P-906867406 | 97 | As is | by synthesis |
P-611473538 | 90 | As is | in stock |
P-1599408 | 90 | As is | 32 mg |
P-893993474 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 242.661 |
logP | -0.3275 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 61.82 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 61.642 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 11 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |