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UCT943

CAT: 1410-M11936-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11936-02Size:5 mg
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Description
UCT943 (UCT-943) is a potent, selective, next generation Plasmodium falciparum PI4K inhibitor with IC50 of 23 nM.
CAS Number
1450666-80-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
427.431
Molecular Formula
C22H20F3N5O
Notes
Research use only, not for human use.
Receptor
PI4K

Chemical Information

[4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CAS Number1450666-80-4
PubChem CID71711915
IUPAC Name[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
Molecular FormulaC22H20F3N5O
Molecular Weight427.4
XLogP2.4
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity596
SMILES
C1CN(CCN1)C(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C4=CC=C(C=C4)C(F)(F)F)N
InChI
InChI=1S/C22H20F3N5O/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)28-13-18(29-19)14-1-3-16(4-2-14)21(31)30-11-9-27-10-12-30/h1-8,13,27H,9-12H2,(H2,26,28)
InChIKey
GGOFGCMPKAWHEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CAS: 1450666-80-4
CID: 71711915
Formula: C22H20F3N5O
MW: 427.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight427.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass427.16199476
Monoisotopic Mass427.16199476
Topological Polar Surface Area84.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity596
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