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SR15006

CAT: 0931-T60037-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T60037-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2505001-54-5
Target
DNA/RNA Synthesis, KLF
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, MAPK
Purity
0.9987
Bioactivity
SR15006 is Krüppel-like factor 5 (KLF5) inhibitor (IC50 = 41.6 nM) .
Smiles
CS(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)\C=C\c1cccc(Cl)c1
Molecular Formula
C16H20ClN3O4S
Molecular Weight
385.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(E)-3-(3-chlorophenyl)-N-(2-(4-(methylsulfonyl)piperazin-1-yl)-2-oxoethyl)acrylamide
CAS Number2505001-54-5
PubChem CID155194738
IUPAC Name(E)-3-(3-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]prop-2-enamide
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.9
XLogP0.8
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity609
SMILES
CS(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)/C=C/C2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H20ClN3O4S/c1-25(23,24)20-9-7-19(8-10-20)16(22)12-18-15(21)6-5-13-3-2-4-14(17)11-13/h2-6,11H,7-10,12H2,1H3,(H,18,21)/b6-5+
InChIKey
DURMLOBZTVQDGQ-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(3-chlorophenyl)-N-(2-(4-(methylsulfonyl)piperazin-1-yl)-2-oxoethyl)acrylamide
CAS: 2505001-54-5
CID: 155194738
Formula: C16H20ClN3O4S
MW: 385.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.9
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.0863050
Monoisotopic Mass385.0863050
Topological Polar Surface Area95.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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