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ACP1b

CAT: 0931-T70842-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T70842-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1371635-84-5
Target
Protease, Others, Antibacterial
Related Pathways
Proteases/Proteasome, Others, Microbiology/Virology
Bioactivity
ACP1b is an activator of ClpP protease.
Smiles
S(C(C(NCCSC1=C(Cl)C=CC=C1)=O)(C)C)(=O)(=O)C2=CC=C(C(F)(F)F)C=N2
Molecular Formula
C18H18ClF3N2O3S2
Molecular Weight
466.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CAS Number1371635-84-5
PubChem CID57388872
IUPAC NameN-[2-(2-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
Molecular FormulaC18H18ClF3N2O3S2
Molecular Weight466.9
XLogP4.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity668
SMILES
CC(C)(C(=O)NCCSC1=CC=CC=C1Cl)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C18H18ClF3N2O3S2/c1-17(2,16(25)23-9-10-28-14-6-4-3-5-13(14)19)29(26,27)15-8-7-12(11-24-15)18(20,21)22/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKey
OUZIIFOEMPAZKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CAS: 1371635-84-5
CID: 57388872
Formula: C18H18ClF3N2O3S2
MW: 466.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass466.0399470
Monoisotopic Mass466.0399470
Topological Polar Surface Area110 Ų
Heavy Atom Count29
Formal Charge0
Complexity668
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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Alternative Products

CatalogName
GTR19209006-01ACP1b
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A0560-21AAcid Phosphatase 1b (ACP1b, ACP1, Adipocyte Acid Phosphotase, HAAP, Low Molecular Weight Cytosolic Acid Phosphatase, Low Molecular Weight Phosphotyrosine Protein Phosphotase, LMW-PTP, LMW-PTPase, Red Cell Acid Phosphotase 1)

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