MCULE-8617312537
- 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 | 50 USD | 90 | 21 working days | Get Quote |
5 mg | 80 USD | 90 | 21 working days | Get Quote |
10 mg | 96 USD | 90 | 21 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-8617312537.sdf |
SMILES | MCULE-8617312537.smiles |
Standard InChI | MCULE-8617312537.inchi |
InChIKey | MCULE-8617312537.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-886625956 | 95 | As is | in stock |
P-889932848 | N/A | As is | by synthesis |
P-612938602 | 95 | As is | in stock |
P-903168753 | 95 | As is | 1000 mg |
P-851666299 | N/A | As is | by synthesis |
P-596382112 | 90 | As is | 167 mg |
P-889811119 | 95 | As is | by synthesis |
P-590876002 | 95 | As is | by synthesis |
P-901484730 | 95 | As is | by synthesis |
P-6222401 | 90 | As is | 5 mg |
P-861392627 | 95 | As is | by synthesis |
P-502449444 | 95 | As is | by synthesis |
P-503083216 | 90 | As is | by synthesis |
P-502611750 | 90 | As is | in stock |
P-492217299 | 95 | As is | in stock |
P-14194834 | 90 | As is | 48 mg |
P-852383790 | N/A | As is | in stock |
P-35276353 | 90 | As is | 862 g |
P-854845612 | 95 | As is | by synthesis |
P-13141528 | 90 | As is | 88 mg |
P-33455633 | 90 | As is | in stock |
P-502352624 | 90 | As is | in stock |
P-23301008 | 94 | As is | by resynthesis (? - ? days) |
P-873074592 | 94 | As is | by resynthesis (? - ? days) |
P-873062702 | 94 | As is | by resynthesis (? - ? days) |
P-873064177 | 94 | As is | by resynthesis (? - ? days) |
P-855216970 | 90 | As is | in stock |
P-893729206 | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 240.350 |
logP | 2.7573 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 98.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 67.2707 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
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 |