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Antimalarial agent 37

CAT: 0013-GTR19235626-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235626-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule, known as Antimalarial agent 37 (compound 33), is a selective Type II kinase inhibitor. It demonstrates antiplasmodial activity and is cytotoxic to HepG2 and MCF-7 cancer cell lines in vitro, supporting research in parasitology and oncology.
CAS Number
2982633-16-7
Field of Research
Infectious Disease & Virology, Signal Transduction
Smiles
O=C (NC=1C=C (C=C (C1) C (F) (F) F) C (=O) NC2=CC=C (C (=C2) C (F) (F) F) CN3CCN (CC) CC3) C4=CN=CC (=C4) C=5SC=CC5
Molecular Formula
C32H29F6N5O2S
Molecular Weight
661.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antimalarial agent 37
CAS Number2982633-16-7
PubChem CID169174347
IUPAC NameN-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-5-thiophen-2-ylpyridine-3-carboxamide
Molecular FormulaC32H29F6N5O2S
Molecular Weight661.7
XLogP5.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1030
SMILES
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=CN=CC(=C4)C5=CC=CS5)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C32H29F6N5O2S/c1-2-42-7-9-43(10-8-42)19-20-5-6-25(16-27(20)32(36,37)38)40-29(44)21-13-24(31(33,34)35)15-26(14-21)41-30(45)23-12-22(17-39-18-23)28-4-3-11-46-28/h3-6,11-18H,2,7-10,19H2,1H3,(H,40,44)(H,41,45)
InChIKey
BTGSBHHFFZEONB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antimalarial agent 37
CAS: 2982633-16-7
CID: 169174347
Formula: C32H29F6N5O2S
MW: 661.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight661.7
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass661.19461533
Monoisotopic Mass661.19461533
Topological Polar Surface Area106 Ų
Heavy Atom Count46
Formal Charge0
Complexity1030
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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