MCULE-4073992670
- 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 | 97 | 14 working days | Get Quote |
5 mg | 6 USD | 97 | 14 working days | Get Quote |
10 mg | 6 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-4073992670.sdf |
SMILES | MCULE-4073992670.smiles |
Standard InChI | MCULE-4073992670.inchi |
InChIKey | MCULE-4073992670.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867558014 | 97 | As is | in stock |
P-875717387 | N/A | As is | in stock |
P-869190411 | 97 | As is | in stock |
P-579761776 | 99 | As is | in stock |
P-903046042 | 97 | As is | 161 g |
P-905486361 | 97 | As is | 100 g |
P-580267832 | 95 | As is | by synthesis |
P-606840142 | N/A | As is | in stock |
P-489105679 | 97 | As is | in stock |
P-596927441 | 95 | As is | 400 g |
P-589656899 | 95 | As is | by resynthesis (? - ? days) |
P-864104818 | 95 | As is | in stock |
P-580701473 | 97 | As is | 142 g |
P-505594929 | 97 | As is | in stock |
P-851253907 | 95 | As is | by synthesis |
P-861280736 | 97 | As is | in stock |
P-868555695 | 98 | As is | in stock |
P-580408690 | 95 | As is | by resynthesis (? - ? days) |
P-905337280 | 95 | As is | 51 g |
P-890217131 | 90 | As is | in stock |
P-590339560 | 90 | As is | 1000 mg |
P-855995345 | 95 | As is | 100 mg |
P-454420236 | 95 | As is | 100 g |
P-579635591 | 97 | As is | by resynthesis (? - ? days) |
P-580502913 | N/A | As is | by synthesis |
P-852441866 | N/A | As is | in stock |
P-854740484 | 95 | As is | in stock |
P-859994103 | 95 | As is | by synthesis |
P-896074911 | N/A | As is | 5.623 g |
P-596781344 | 97 | As is | 282 g |
P-502395234 | 90 | As is | in stock |
P-906781914 | 98 | As is | by synthesis |
P-611484119 | 90 | As is | in stock |
P-893924076 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 181.188 |
logP | 1.6452 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 61.55 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 48.6179 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |