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CH5015765

CAT: 0013-GTR19211653-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211653-02Size:50 mg
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Description
CH5015765 is a selective HSP90 inhibitor with high binding affinity, demonstrating potent antitumor efficacy in human cancer xenograft models. It serves as a valuable research tool for investigating HSP90 biology and oncology in both in vitro and in vivo experimental settings.
CAS Number
959766-47-3
Field of Research
Metabolism Research, Signal Transduction
Smiles
ClC1=C (C2=C3C (=C1) COCC3=CC=C2) C=4N=C (SC) N=C (N) N4
Molecular Formula
C16H13ClN4OS
Molecular Weight
344.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(5-Chloro-1h,3h-Benzo[de]isochromen-6-Yl)-6-(Methylsulfanyl)-1,3,5-Triazin-2-Amine
CAS Number959766-47-3
PubChem CID49784944
IUPAC Name4-(7-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
Molecular FormulaC16H13ClN4OS
Molecular Weight344.8
XLogP3.2
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity431
SMILES
CSC1=NC(=NC(=N1)N)C2=C(C=C3COCC4=C3C2=CC=C4)Cl
InChI
InChI=1S/C16H13ClN4OS/c1-23-16-20-14(19-15(18)21-16)13-10-4-2-3-8-6-22-7-9(12(8)10)5-11(13)17/h2-5H,6-7H2,1H3,(H2,18,19,20,21)
InChIKey
FPTCGMGLTQPTGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5-Chloro-1h,3h-Benzo[de]isochromen-6-Yl)-6-(Methylsulfanyl)-1,3,5-Triazin-2-Amine
CAS: 959766-47-3
CID: 49784944
Formula: C16H13ClN4OS
MW: 344.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass344.0498599
Monoisotopic Mass344.0498599
Topological Polar Surface Area99.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity431
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

Alternative Products

CatalogName
HY-111007-01CH5015765

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