MCULE-8703579240
- 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 | 13 USD | 98 | 20 working days | Get Quote |
5 mg | 13 USD | 98 | 20 working days | Get Quote |
10 mg | 13 USD | 98 | 20 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-8703579240.sdf |
SMILES | MCULE-8703579240.smiles |
Standard InChI | MCULE-8703579240.inchi |
InChIKey | MCULE-8703579240.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-875700788 | AA Blocks | AA Blocks | N/A | As is | in stock | June 9 |
P-597017728 | AEchem | Building blocks | 95 | As is | in stock | February 20, 2020 |
P-596939118 | Angene | Building Blocks in stock | 98 | As is | 87 g | September 23 |
P-579791110 | Apollo Scientific | In Stock | 95 | As is | in stock | July 12 |
P-851271749 | Chemshuttle | On request catalog | N/A | As is | by synthesis | January 16 |
P-861920620 | FluoroChem | All BB | 97 | As is | in stock | May 5, 2022 |
P-596576793 | Key Organics | Building Blocks | 97 | As is | 1000 mg | 5 hours ago |
P-856010860 | LaboTest | Screening Collection | 90 | As is | in stock | September 1, 2021 |
P-852376508 | Matrix Scientific | All | N/A | As is | in stock | February 18, 2022 |
P-878646880 | Molnova | Stock | 98 | As is | in stock | August 17 |
P-869124632 | TargetMol | Screening Compounds | 95 | As is | 1.541 g | March 1 |
P-502395717 | TimTec | Building Block Collection | 90 | As is | in stock | February 1, 2015 |
Property | Value |
---|---|
Components | 1 |
Mass | 184.491 |
logP | 2.3528 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 9.23 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 22.709 |
Atoms | 12 |
Rings | 0 |
Heavy atoms | 10 |
Hydrogen atoms | 2 |
Heteroatoms | 7 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 6 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |