MCULE-4876599569
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 67 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-4876599569.sdf |
SMILES | MCULE-4876599569.smiles |
Standard InChI | MCULE-4876599569.inchi |
InChIKey | MCULE-4876599569.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893096833 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-866097485 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
P-504686990 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-4972266 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-132932 | Chemical Block | Screening Library | 90 | As is | 486 mg |
P-34678263 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862044907 | FluoroChem | General BB | N/A | As is | in stock |
P-852499417 | Matrix Scientific | All | N/A | As is | in stock |
P-35184083 | Maybridge | Screening Collection | 90 | As is | 2.43 kg |
P-864025664 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-624598678 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-22553829 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-596706769 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 51 mg |
P-855322458 | Toronto Research | In stock | 90 | As is | in stock |
P-676512762 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
P-2351568 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 275.223 |
logP | 2.3892 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 55.4 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 60.1462 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 19 |
Hydrogen atoms | 12 |
Heteroatoms | 7 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |