VTX-27

CAT: 0931-T13314-05Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T13314-05Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1321924-70-2

Target

PKC

Related Pathways

Chromatin/Epigenetic, Cytoskeletal Signaling

Purity

0.9984

Bioactivity

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) .

Smiles

FC1=C(C=2C=3C(NN2)=NC=CC3)N=C(C(Cl)=C1)N4C[C@@]([C@](C(C)C)(C)O)(NCC4)[H]

Molecular Formula

C20H24ClFN6O

Molecular Weight

418.9

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	1321924-70-2
PubChem CID	53354074
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 Formula	C20H24ClFN6O
Molecular Weight	418.9
XLogP	2.9
Topological Polar Surface Area	90
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	573

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

CAS: 1321924-70-2

CID: 53354074

Formula: C20H24ClFN6O

MW: 418.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	418.9
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	418.1684153
Monoisotopic Mass	418.1684153
Topological Polar Surface Area	90 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	573
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BA4960-5	VTX-27
A19347-25	VTX-27 25mg
A19347-5	VTX-27 5mg
A19347-2	VTX-27 2mg

VTX-27

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