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NSC666715

CAT: 0931-T24555-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24555-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
170747-33-8
Target
Others, DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
NSC666715 is the strand-displacement activity of DNA polymerase inhibitor.
Smiles
N(S(=O)(=O)C1=C(S)C=C(Cl)C(C)=C1)C=2NC(NC3=CC=C(Cl)C=C3)=NN2
Molecular Formula
C15H13Cl2N5O2S2
Molecular Weight
430.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide
CAS Number170747-33-8
PubChem CID380929
IUPAC Name4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide
Molecular FormulaC15H13Cl2N5O2S2
Molecular Weight430.3
XLogP4.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity571
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13Cl2N5O2S2/c1-8-6-13(12(25)7-11(8)17)26(23,24)22-15-19-14(20-21-15)18-10-4-2-9(16)3-5-10/h2-7,25H,1H3,(H3,18,19,20,21,22)
InChIKey
GRYIAOMDOBRKIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide
CAS: 170747-33-8
CID: 380929
Formula: C15H13Cl2N5O2S2
MW: 430.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.3
XLogP34.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass428.9887724
Monoisotopic Mass428.9887724
Topological Polar Surface Area109 Ų
Heavy Atom Count26
Formal Charge0
Complexity571
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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