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VTX-27

CAT: 1410-M26503-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M26503-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VTX-27 is a selective inhibitor of protein kinase C θ (PKC θ) (Kis: 0.08 nM and 16 nM for PKC θ and PKC δ) .
CAS Number
1321924-70-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
418.9
Molecular Formula
C20H24ClFN6O
Notes
Research use only, not for human use.
Receptor
D2

Chemical Information

(R)-2-((S)-4-(3-chloro-5-fluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CAS Number1321924-70-2
PubChem CID53354074
IUPAC Name(2R)-2-[(2S)-4-[3-chloro-5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
Molecular FormulaC20H24ClFN6O
Molecular Weight418.9
XLogP2.9
Topological Polar Surface Area90
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity573
SMILES
CC(C)[C@](C)([C@@H]1CN(CCN1)C2=C(C=C(C(=N2)C3=C4C=CC=NC4=NN3)F)Cl)O
InChI
InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
InChIKey
HXWARSZQGAFXJM-MGPUTAFESA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((S)-4-(3-chloro-5-fluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CAS: 1321924-70-2
CID: 53354074
Formula: C20H24ClFN6O
MW: 418.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.9
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass418.1684153
Monoisotopic Mass418.1684153
Topological Polar Surface Area90 Ų
Heavy Atom Count29
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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