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ML-077

CAT: 0931-T71992-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71992-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1135304-61-8
Target
Others
Related Pathways
Others
Bioactivity
ML-077, also known as VU0255011, is a highly selective, potent, saline soluble, best in class" KCC2 antagonist for high fidelity in vitro studies on KCC2 function with IC (50) =537 nM. ML-077 is cell permeable and exhibits submicromolar potency
Smiles
CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1
Molecular Formula
C17H16N4OS2
Molecular Weight
356.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide

N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide is a ring assembly and a member of pyridazines.

CAS Number1135304-61-8
PubChem CID25067404
IUPAC NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
Molecular FormulaC17H16N4OS2
Molecular Weight356.5
XLogP3.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity419
SMILES
CC1=CSC(=N1)N(C)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
POKKSIROKFEGGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide
CAS: 1135304-61-8
CID: 25067404
Formula: C17H16N4OS2
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass356.07655349
Monoisotopic Mass356.07655349
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity419
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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