MCULE-1048574390
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 33 USD | 97 | 20 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-1048574390.sdf |
SMILES | MCULE-1048574390.smiles |
Standard InChI | MCULE-1048574390.inchi |
InChIKey | MCULE-1048574390.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867591581 | 97 | As is | in stock |
P-875749916 | N/A | As is | in stock |
P-613850322 | 95 | As is | in stock |
P-903081032 | 97 | As is | 7 g |
P-893518955 | 90 | As is | 90.128 g |
P-606856759 | N/A | As is | in stock |
P-489180296 | 97 | As is | in stock |
P-596955943 | 97 | As is | 6 g |
P-895940393 | 95 | As is | by resynthesis (? - ? days) |
P-864194116 | 95 | As is | in stock |
P-590636561 | 97 | As is | 2.095 g |
P-3935615 | 90 | As is | 50 mg |
P-454688815 | 90 | As is | in stock |
P-15156825 | 90 | As is | 20 mg |
P-436444681 | 90 | As is | 19.996 g |
P-350614 | 90 | As is | 243 mg |
P-861567252 | 95 | As is | by synthesis |
P-861373121 | 95 | As is | by synthesis |
P-34732428 | 90 | As is | in stock |
P-862046947 | 95 | As is | 8.18 g |
P-502470834 | 95 | As is | by synthesis |
P-502871352 | 90 | As is | in stock |
P-492231258 | 95 | As is | in stock |
P-488545055 | 90 | As is | in stock |
P-13790011 | 95 | As is | 300 mg |
P-596595174 | 90 | As is | 1000 mg |
P-14061593 | 95 | As is | 213 mg |
P-601060033 | 90 | As is | 213 mg |
P-588254000 | N/A | As is | by synthesis |
P-852508577 | N/A | As is | in stock |
P-872524851 | 95 | As is | in stock |
P-888896578 | N/A | As is | in stock |
P-454365301 | 92 | As is | in stock |
P-14024796 | 92 | As is | 300 mg |
P-491074147 | 95 | As is | by synthesis |
P-19494547 | 90 | As is | in stock |
P-33452481 | 90 | As is | in stock |
P-502341347 | 90 | As is | in stock |
P-611594579 | 90 | As is | in stock |
P-464684097 | 90 | As is | 1.498 g |
P-2376061 | 90 | As is | 1.498 g |
P-615404942 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 202.209 |
logP | 2.4048 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 76.21 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 58.0727 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 10 |
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 |