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FATP1-IN-1

CAT: 0931-T38905-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T38905-01Size:1 mg
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CAS Number
1431945-95-7
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
FATP1-IN-1 is a potent inhibitor of fatty acid transport protein 1 (FATP1) . It effectively inhibits the activity of recombinant human or mouse acyl-CoA synthetase, which is essential for the function of FATP1. The inhibition is characterized by IC50 values of 0.046 μM for human FATP1 and 0.60 μM for mouse FATP1.
Smiles
Fc1ccc(nc1)N1CCN(CC(=O)Nc2nc3CCCCc3s2)CC1
Molecular Formula
C18H22FN5OS
Molecular Weight
375.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CAS Number1431945-95-7
PubChem CID71601847
IUPAC Name2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Molecular FormulaC18H22FN5OS
Molecular Weight375.5
XLogP2.6
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity490
SMILES
C1CCC2=C(C1)N=C(S2)NC(=O)CN3CCN(CC3)C4=NC=C(C=C4)F
InChI
InChI=1S/C18H22FN5OS/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25)
InChIKey
ORQHHLPTMSGMQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CAS: 1431945-95-7
CID: 71601847
Formula: C18H22FN5OS
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass375.15290968
Monoisotopic Mass375.15290968
Topological Polar Surface Area89.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity490
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