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NSC 95397

CAT: 0931-T7078-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7078-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93718-83-3
Target
Apoptosis, Phosphatase
Related Pathways
Metabolism, Apoptosis
Purity
0.9866
Bioactivity
NSC 95397 is a potent inhibitor of Cdc25 dual specificity phosphatase (Ki of 32, 96, and 40 nM for Cdc25A, Cdc25B, and Cdc25C, respectively) .
Smiles
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O
Molecular Formula
C14H14O4S2
Molecular Weight
310.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,3-Bis(2-hydroxyethylsulfanyl)-(1,4)naphthoquinone

2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione is a member of 1,4-naphthoquinones.

CAS Number93718-83-3
PubChem CID262093
IUPAC Name2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
Molecular FormulaC14H14O4S2
Molecular Weight310.4
XLogP1.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity381
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO
InChI
InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
InChIKey
MAASHDQFQDDECQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Bis(2-hydroxyethylsulfanyl)-(1,4)naphthoquinone
CAS: 93718-83-3
CID: 262093
Formula: C14H14O4S2
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass310.03335127
Monoisotopic Mass310.03335127
Topological Polar Surface Area125 Ų
Heavy Atom Count20
Formal Charge0
Complexity381
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