MCULE-6201364087
- 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 | 24 USD | 95 | 17 working days | Get Quote |
5 mg | 24 USD | 95 | 17 working days | Get Quote |
10 mg | 24 USD | 95 | 17 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-6201364087.sdf |
SMILES | MCULE-6201364087.smiles |
Standard InChI | MCULE-6201364087.inchi |
InChIKey | MCULE-6201364087.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-613849494 | 95 | As is | in stock |
P-866099992 | 95 | As is | 21 g |
P-580224484 | 95 | As is | by synthesis |
P-851939123 | N/A | As is | in stock |
P-585321638 | 95 | As is | by resynthesis (? - ? days) |
P-896033932 | 95 | As is | by synthesis |
P-674401208 | 97 | As is | 149.38 g |
P-893234305 | 95 | As is | in stock |
P-454663080 | 90 | As is | in stock |
P-436444886 | 90 | As is | 9.69 g |
P-351307 | 90 | As is | 279 mg |
P-436466298 | 95 | As is | in stock |
P-868563514 | 97 | As is | in stock |
P-34732651 | 90 | As is | in stock |
P-905350746 | 97 | As is | 1000 mg |
P-862078825 | 97 | As is | 288.11 g |
P-855912358 | 95 | As is | unavailable |
P-601046508 | 90 | As is | 21.231 g |
P-468069617 | 95 | As is | 21.231 g |
P-852447122 | N/A | As is | in stock |
P-896630398 | 95 | As is | in stock |
P-889864467 | 95 | As is | by synthesis |
P-24067120 | 90 | As is | in stock |
P-535686088 | N/A | As is | in stock |
P-22627940 | 90 | As is | in stock |
P-502341545 | 90 | As is | in stock |
P-611571925 | 90 | As is | in stock |
P-1889683 | 90 | As is | 1.104 g |
P-886910716 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 164.200 |
logP | 2.2879 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 26.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 47.9355 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 12 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |