MCULE-2663165147
- 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-2663165147.sdf |
SMILES | MCULE-2663165147.smiles |
Standard InChI | MCULE-2663165147.inchi |
InChIKey | MCULE-2663165147.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-852118417 | 95 | As is | by synthesis |
P-901282265 | N/A | As is | in stock |
P-869224135 | 95 | As is | in stock |
P-903201139 | 95 | As is | 1000 mg |
P-851805295 | N/A | As is | by synthesis |
P-901348796 | 95 | As is | by synthesis |
P-591102655 | 95 | As is | by synthesis |
P-6203546 | 90 | As is | 50 mg |
P-454698873 | 90 | As is | in stock |
P-436448900 | 95 | As is | 10 g |
P-20002152 | 90 | As is | in stock |
P-868632598 | 95 | As is | in stock |
P-34774842 | 90 | As is | in stock |
P-596589389 | 90 | As is | 5 g |
P-31199144 | 90 | As is | unavailable |
P-852398947 | N/A | As is | in stock |
P-895688915 | 95 | As is | by synthesis |
P-885524794 | 95 | As is | by synthesis |
P-23895224 | 90 | As is | in stock |
P-12808603 | 90 | As is | 21 mg |
P-22825241 | 90 | As is | in stock |
P-888470878 | 94 | As is | by resynthesis (? - ? days) |
P-855302411 | 90 | As is | in stock |
P-911640553 | 90 | As is | by synthesis |
P-3231260 | 90 | As is | 4.182 g |
P-1035486 | 90 | As is | 4.182 g |
Property | Value |
---|---|
Components | 1 |
Mass | 273.712 |
logP | 3.8679 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.17 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 75.8607 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |