MCULE-5486597398
- 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 | 37 USD | 90 | 19 working days | Get Quote |
5 mg | 54 USD | 90 | 19 working days | Get Quote |
10 mg | 68 USD | 90 | 19 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-5486597398.sdf |
SMILES | MCULE-5486597398.smiles |
Standard InChI | MCULE-5486597398.inchi |
InChIKey | MCULE-5486597398.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-620779542 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889912209 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869357516 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851506554 | AmBeed | On request | N/A | As is | by synthesis |
P-590847982 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-504716158 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-607724427 | ChemDiv | Discovery Chemistry Library | 90 | As is | 28 mg |
P-34486282 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-31206958 | LaboTest | Screening Collection | 90 | As is | 250 mg |
P-580499543 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-895826182 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23977212 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491084907 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12456241 | Specs | Screening Compounds | 90 | As is | 48 mg |
P-22676650 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-3199591 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 29 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 185.225 |
logP | 2.6154 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 51.8 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 56.8384 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 11 |
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 |