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WAY-621089

CAT: 0804-HY-47595-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-47595-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WAY-621089 is an active molecule for the study of amyloid diseases and synucleinopathies[1].
CAS Number
303790-92-3
UNSPSC
12352005
Hazard Statement
H302, H372, H411
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/way-621089.html
Purity
98.0
Solubility
DMSO : 6.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(NC1=CC=C(OCO2)C2=C1)C(NC3=CC=C(OCO4)C4=C3)=O
Molecular Formula
C16H12N2O6
Molecular Weight
328.28
Precautions
H302, H372, H411
References & Citations
[1]Segura-Cabrera A, et al. Structure-based prediction of Mycobacterium tuberculosis shikimate kinase inhibitors by high-throughput virtual screening. Bioorg Med Chem Lett. 2008 Jun 1;18 (11) :3152-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N,N'-bis(1,3-benzodioxol-5-yl)ethanediamide
CAS Number303790-92-3
PubChem CID1558787
IUPAC NameN,N'-bis(1,3-benzodioxol-5-yl)oxamide
Molecular FormulaC16H12N2O6
Molecular Weight328.28
XLogP2
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity457
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)C(=O)NC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H12N2O6/c19-15(17-9-1-3-11-13(5-9)23-7-21-11)16(20)18-10-2-4-12-14(6-10)24-8-22-12/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKey
PYXWANNKJGOAPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-bis(1,3-benzodioxol-5-yl)ethanediamide
CAS: 303790-92-3
CID: 1558787
Formula: C16H12N2O6
MW: 328.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.28
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass328.06953611
Monoisotopic Mass328.06953611
Topological Polar Surface Area95.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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