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TCS 21311

CAT: 0013-GTR19174110-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174110-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCS 21311
CAS Number
1260181-14-3
Product Name Alternative
PKCθ, PKCα, PKC, Protein kinase C, TCS 21311, TCS21311, TCS-21311, NIBR3049, NIBR-3049, NIBR 3049, inhibit, JAK3, Janus kinase, JAK1, JAK2, JAK, Inhibitor, GSK-3, GSK-3β, GSK3, Glycogen synthase kinase 3, Glycogen synthase kinase-3
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
≥98% (May vary between batches)
Smiles
CC (C) (O) C (=O) N1CCN (CC1) c1ccc (c (c1) C1=C (C (=O) NC1=O) c1c[nH]c2ccccc12) C (F) (F) F
Molecular Formula
C27H25F3N4O4
Molecular Weight
526.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(5-(4-(2-hydroxy-2-methylpropionyl)piperazin-1-yl)-2-trifluoromethylphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

structure in first source

CAS Number1260181-14-3
PubChem CID50925411
IUPAC Name3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
Molecular FormulaC27H25F3N4O4
Molecular Weight526.5
XLogP2.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity1000
SMILES
CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O
InChI
InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
InChIKey
CLGRAWDGLMENOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(5-(4-(2-hydroxy-2-methylpropionyl)piperazin-1-yl)-2-trifluoromethylphenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CAS: 1260181-14-3
CID: 50925411
Formula: C27H25F3N4O4
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass526.18278978
Monoisotopic Mass526.18278978
Topological Polar Surface Area106 Ų
Heavy Atom Count38
Formal Charge0
Complexity1000
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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