MCULE-8601723387
- 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-8601723387.sdf |
SMILES | MCULE-8601723387.smiles |
Standard InChI | MCULE-8601723387.inchi |
InChIKey | MCULE-8601723387.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867407677 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-427971976 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 2 mg |
P-454729989 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15143237 | ChemDiv | Discovery Chemistry Library | 90 | As is | 14 mg |
P-436443088 | Chemical Block | Building Blocks | 90 | As is | 4.379 g |
P-298727 | Chemical Block | Screening Library | 90 | As is | 437 mg |
P-34717203 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580787701 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-502539576 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-864029385 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-24058984 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33494682 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502337204 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22560007 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 4 mg |
P-2373591 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 122 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 218.641 |
logP | 2.19118 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 65.36 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 56.3507 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |