MCULE-9622021344
- 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 | 40 USD | 90 | 22 working days | Get Quote |
5 mg | 58 USD | 90 | 22 working days | Get Quote |
10 mg | 74 USD | 90 | 22 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-9622021344.sdf |
SMILES | MCULE-9622021344.smiles |
Standard InChI | MCULE-9622021344.inchi |
InChIKey | MCULE-9622021344.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867406044 | N/A | As is | by synthesis |
P-904571505 | 95 | As is | in stock |
P-851749541 | N/A | As is | by synthesis |
P-591064696 | 95 | As is | by synthesis |
P-504733928 | 85 | As is | 5 mg |
P-454758663 | 90 | As is | in stock |
P-607763226 | 90 | As is | 27 mg |
P-34525382 | 90 | As is | in stock |
P-580778252 | 90 | As is | by resynthesis (? - ? days) |
P-580767490 | 90 | As is | in stock |
P-895431289 | 95 | As is | by synthesis |
P-491130733 | 95 | As is | by synthesis |
P-23869036 | 90 | As is | in stock |
P-33466919 | 90 | As is | in stock |
P-502343985 | 90 | As is | in stock |
P-1174952 | 90 | As is | 1.107 g |
P-596525938 | 90 | As is | 1.107 g |
Property | Value |
---|---|
Components | 1 |
Mass | 246.261 |
logP | 2.0146 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 53.35 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 65.7475 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |