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U0124

CAT: 0931-T23484Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T23484Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108923-79-1
Target
MEK, Others
Related Pathways
MAPK, Others
Bioactivity
Inactive analog of U0126 (MEK-1/2 inhibitor), used as a negative control
Smiles
N#CC(C(C#N)=C(SC)N)=C(SC)N
Molecular Formula
C8H10N4S2
Molecular Weight
226.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene
CAS Number108923-79-1
PubChem CID5842955
IUPAC Name(2Z,3Z)-2,3-bis[amino(methylsulfanyl)methylidene]butanedinitrile
Molecular FormulaC8H10N4S2
Molecular Weight226.3
XLogP0.2
Topological Polar Surface Area150
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity339
SMILES
CS/C(=C(/C(=C(/SC)\N)/C#N)\C#N)/N
InChI
InChI=1S/C8H10N4S2/c1-13-7(11)5(3-9)6(4-10)8(12)14-2/h11-12H2,1-2H3/b7-5+,8-6+
InChIKey
LBQNBMSPTURKGS-KQQUZDAGSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadiene
CAS: 108923-79-1
CID: 5842955
Formula: C8H10N4S2
MW: 226.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.3
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass226.03468868
Monoisotopic Mass226.03468868
Topological Polar Surface Area150 Ų
Heavy Atom Count14
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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Alternative Products

CatalogName
GTR19200721U0124
AR-U01185-01U0124 (Mixture of Isomers)

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