MCULE-7268774576
- 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 | 5 USD | 97 | 14 working days | Get Quote |
5 mg | 5 USD | 97 | 14 working days | Get Quote |
10 mg | 5 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.
-
MCULE-1954726417
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7268774576.sdf |
SMILES | MCULE-7268774576.smiles |
Standard InChI | MCULE-7268774576.inchi |
InChIKey | MCULE-7268774576.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-892791298 | 95 | As is | in stock |
P-889585230 | 95 | As is | in stock |
P-901527088 | 95 | As is | by synthesis |
P-895813058 | 95 | As is | by synthesis |
P-579714410 | N/A | As is | in stock |
P-856352285 | 95 | As is | by synthesis |
P-893989624 | 95 | As is | in stock |
P-867622929 | 98 | As a main component | in stock |
P-875785394 | N/A | As a main component | in stock |
P-869262514 | 98 | As a main component | in stock |
P-903134023 | 97 | As a main component | 1.5 kg |
P-489111679 | 97 | As a main component | in stock |
P-596964762 | 97 | As a main component | 1.5 kg |
P-864165173 | 95 | As a main component | in stock |
P-901540278 | 95 | As a main component | by synthesis |
P-617324268 | 90 | As a main component | in stock |
P-868629779 | 97 | As a main component | in stock |
P-905353486 | 97 | As a main component | 300 g |
P-862127288 | 97 | As a main component | 3.50146 kg |
P-608220739 | 98 | As a main component | in stock |
P-492242864 | 95 | As a main component | in stock |
P-454332868 | 90 | As a main component | unavailable |
P-856007716 | 97 | As a main component | 100 mg |
P-856005505 | 98 | As a main component | 100 mg |
P-524190897 | 97 | As a main component | 1000 g |
P-524161785 | 98 | As a main component | 100 g |
P-31217125 | 90 | As a main component | unavailable |
P-31226620 | 90 | As a main component | 10 g |
P-872795578 | 95 | As a main component | in stock |
P-889867235 | 95 | As a main component | by synthesis |
P-675084473 | 90 | As a main component | in stock |
P-873228371 | 90 | As a main component | in stock |
P-873034660 | 90 | As a main component | 1000 mg |
P-888594634 | 94 | As a main component | by resynthesis (? - ? days) |
P-906770559 | 98 | As a main component | by synthesis |
P-611455260 | 90 | As a main component | in stock |
P-617781160 | 90 | As a main component | 10 mg |
P-615410863 | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 193.242 |
logP | 1.8198 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 52.32 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 54.6284 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 15 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |