Products for Research Use Only

PLK1/PRC1-IN-1

CAT: 0013-GTR19257820-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257820-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PLK1/PRC1-IN-1 (compound B4) is an inhibitor that prevents the formation of the PLK1/PRC1 protein complex. It is useful for research involving non-small cell lung cancer (NSCLC) .
CAS Number
2991469-28-2
Field of Research
Cell Biology, Signal Transduction
Smiles
O=C1C2=CC=CC=3C (=CC=C (C (=O) N1CCN (C) C) C23) S (=O) (=O) NCC4=CC=C (C=C4) C (F) (F) F
Molecular Formula
C24H22F3N3O4S
Molecular Weight
505.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-(dimethylamino)ethyl]-1,3-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]benzo[de]isoquinoline-6-sulfonamide
CAS Number2991469-28-2
PubChem CID177383347
IUPAC Name2-[2-(dimethylamino)ethyl]-1,3-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]benzo[de]isoquinoline-6-sulfonamide
Molecular FormulaC24H22F3N3O4S
Molecular Weight505.5
XLogP3.5
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity897
SMILES
CN(C)CCN1C(=O)C2=C3C(=C(C=C2)S(=O)(=O)NCC4=CC=C(C=C4)C(F)(F)F)C=CC=C3C1=O
InChI
InChI=1S/C24H22F3N3O4S/c1-29(2)12-13-30-22(31)18-5-3-4-17-20(11-10-19(21(17)18)23(30)32)35(33,34)28-14-15-6-8-16(9-7-15)24(25,26)27/h3-11,28H,12-14H2,1-2H3
InChIKey
QPJAYAFNNJNTEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-(dimethylamino)ethyl]-1,3-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]benzo[de]isoquinoline-6-sulfonamide
CAS: 2991469-28-2
CID: 177383347
Formula: C24H22F3N3O4S
MW: 505.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight505.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass505.12831185
Monoisotopic Mass505.12831185
Topological Polar Surface Area95.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity897
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