MCULE-3867000095-1
- 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 | 156 USD | 95 | 16 working days | Get Quote |
5 mg | 156 USD | 95 | 16 working days | Get Quote |
10 mg | 156 USD | 95 | 16 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.
-
MCULE-9243891828-0
- Component type: Counter Ion
-
MCULE-1187979534-1
- Component type: Counter Ion
-
MCULE-6382957613-0
- Component type: Counter Ion
-
MCULE-6309989492-0
- Component type: Counter Ion
-
MCULE-8565463415-0
- Component type: Counter Ion
-
MCULE-1407323142-0
- Component type: Counter Ion
-
MCULE-7425540478-0
- Component type: Counter Ion
-
MCULE-1909601592-0
- Component type: Counter Ion
-
MCULE-1233660450-0
- Component type: Counter Ion
-
MCULE-2934902803-0
- Component type: Counter Ion
-
MCULE-2729700614-0
- Component type: Counter Ion
-
MCULE-3051865778-0
- Component type: Counter Ion
-
MCULE-1129308393-1
- Component type: Counter Ion
-
MCULE-8338522673-0
- Component type: Unknown
-
MCULE-3561257102-0
- Component type: Counter Ion
-
MCULE-2602179875-0
- Component type: Counter Ion
-
MCULE-2408937172-1
- Component type: Counter Ion
-
MCULE-7576591295-0
- Component type: Counter Ion
-
MCULE-1285398556-0
- Component type: Counter Ion
-
MCULE-7367365706-0
- Component type: Counter Ion
-
MCULE-2411361527-0
- Component type: Counter Ion
-
MCULE-3362605406-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3867000095-1.sdf |
SMILES | MCULE-3867000095-1.smiles |
Standard InChI | MCULE-3867000095-1.inchi |
InChIKey | MCULE-3867000095-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-575292938 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 149.079 |
logP | -3.4573 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 117.89 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 25.2669 |
Atoms | 15 |
Rings | 0 |
Heavy atoms | 10 |
Hydrogen atoms | 5 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |