MCULE-4672469389
- 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-4672469389.sdf |
SMILES | MCULE-4672469389.smiles |
Standard InChI | MCULE-4672469389.inchi |
InChIKey | MCULE-4672469389.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867554122 | 97 | As is | in stock |
P-875712317 | N/A | As is | in stock |
P-590380573 | 98 | As is | in stock |
P-903038633 | 97 | As is | 10.5 kg |
P-905478791 | 97 | As is | 10 g |
P-580237252 | 95 | As is | by synthesis |
P-606906997 | N/A | As is | in stock |
P-489164219 | 97 | As is | in stock |
P-596942527 | 98 | As is | 1.5 kg |
P-552039076 | 95 | As is | by resynthesis (? - ? days) |
P-864088748 | 95 | As is | in stock |
P-481171990 | 95 | As is | 50 g |
P-580716220 | 97 | As is | 42 g |
P-492247314 | 95 | As is | in stock |
P-454691023 | 90 | As is | in stock |
P-619851280 | 90 | As is | 76 mg |
P-436445735 | 95 | As is | 100 g |
P-517165427 | 90 | As is | in stock |
P-851272240 | 95 | As is | by synthesis |
P-868647673 | 98 | As is | in stock |
P-34739618 | 90 | As is | in stock |
P-580783225 | 90 | As is | by resynthesis (? - ? days) |
P-580771207 | 90 | As is | in stock |
P-580405440 | 95 | As is | by resynthesis (? - ? days) |
P-861982526 | 97 | As is | 486.145 g |
P-889113826 | 97 | As is | 2 g |
P-505522318 | 95 | As is | in stock |
P-492226485 | 95 | As is | in stock |
P-488553054 | 90 | As is | in stock |
P-855995828 | 97 | As is | 100 mg |
P-524182952 | 97 | As is | 500 g |
P-889738097 | 95 | As is | 500 g |
P-31208208 | 90 | As is | unavailable |
P-856042857 | 90 | As is | unavailable |
P-580483436 | N/A | As is | by synthesis |
P-852396266 | N/A | As is | in stock |
P-854731978 | 95 | As is | in stock |
P-454370203 | 92 | As is | in stock |
P-500401559 | 97 | As is | by synthesis |
P-491135617 | 95 | As is | by synthesis |
P-23839504 | 90 | As is | in stock |
P-896074168 | N/A | As is | 63.919 g |
P-596763129 | 97 | As is | 757 g |
P-33469861 | 90 | As is | in stock |
P-502347650 | 90 | As is | in stock |
P-888438578 | 94 | As is | by resynthesis (? - ? days) |
P-906902154 | 98 | As is | in stock |
P-611426304 | 90 | As is | in stock |
P-3241224 | 90 | As is | 2.176 g |
P-886888955 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 222.027 |
logP | 1.6311 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 28.68 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 41.2367 |
Atoms | 15 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 7 |
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 |