MCULE-8721317325
- 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 | 36 USD | 95 | 26 working days | Get Quote |
5 mg | 36 USD | 95 | 26 working days | Get Quote |
10 mg | 41 USD | 95 | 26 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-8721317325.sdf |
SMILES | MCULE-8721317325.smiles |
Standard InChI | MCULE-8721317325.inchi |
InChIKey | MCULE-8721317325.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-872936245 | 95 | As is | in stock |
P-901286567 | N/A | As is | in stock |
P-869262848 | 95 | As is | in stock |
P-851420753 | N/A | As is | by synthesis |
P-901347180 | 95 | As is | by synthesis |
P-590758484 | 95 | As is | by synthesis |
P-5198773 | 90 | As is | 50 mg |
P-454691296 | 90 | As is | in stock |
P-436446050 | 95 | As is | 10 g |
P-20025991 | 90 | As is | in stock |
P-868634465 | 95 | As is | in stock |
P-34839115 | 90 | As is | in stock |
P-596591588 | 90 | As is | 5 g |
P-852396729 | N/A | As is | in stock |
P-854925236 | 95 | As is | by synthesis |
P-885526579 | 95 | As is | by synthesis |
P-23925721 | 90 | As is | in stock |
P-22938504 | 90 | As is | in stock |
P-888577106 | 94 | As is | by resynthesis (? - ? days) |
P-855301660 | 90 | As is | in stock |
P-1443857 | 90 | As is | 1.627 g |
P-3237268 | 90 | As is | 1.627 g |
Property | Value |
---|---|
Components | 1 |
Mass | 291.343 |
logP | 4.5525 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 50.19 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 88.7183 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 17 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |