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ACP1-01

CAT: 0931-T212202-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T212202-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1382489-31-7
Target
Protease, Antibacterial
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
ACP1-01 is a bacterial ClpP activator with EC50 values of 3.4 μM for Neisseria meningitides ClpP (NmClpP) and 2.6 μM for Escherichia coli. It binds non-covalently to the C site of ClpP, activating its protease. ACP1-01 exhibits antibacterial activity and is useful for bacterial infection research.
Smiles
O=C(NCCSC=1C=CC=CC1C(F)(F)F)C(C)(C)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F
Molecular Formula
C19H18F6N2O3S2
Molecular Weight
500.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-methyl-N-[2-[2-(trifluoromethyl)phenyl]sulfanylethyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanamide
CAS Number1382489-31-7
PubChem CID88544963
IUPAC Name2-methyl-N-[2-[2-(trifluoromethyl)phenyl]sulfanylethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
Molecular FormulaC19H18F6N2O3S2
Molecular Weight500.5
XLogP4.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity750
SMILES
CC(C)(C(=O)NCCSC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C19H18F6N2O3S2/c1-17(2,32(29,30)15-8-7-12(11-27-15)18(20,21)22)16(28)26-9-10-31-14-6-4-3-5-13(14)19(23,24)25/h3-8,11H,9-10H2,1-2H3,(H,26,28)
InChIKey
LUNHBUGYRUFQHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methyl-N-[2-[2-(trifluoromethyl)phenyl]sulfanylethyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanamide
CAS: 1382489-31-7
CID: 88544963
Formula: C19H18F6N2O3S2
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass500.06630376
Monoisotopic Mass500.06630376
Topological Polar Surface Area110 Ų
Heavy Atom Count32
Formal Charge0
Complexity750
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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