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6BrCaQ

CAT: 0931-T61726-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T61726-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
954416-67-2
Target
Others, HSP
Related Pathways
Metabolism, Cytoskeletal Signaling, Others
Bioactivity
6BrCaQ is a highly potent inhibitor of mitochondrial heat shock protein TRAP1, exhibiting significant antiproliferative properties. Additionally, 6BrCaQ can be utilized for the synthesis of 6BrCaQ-TPP conjugates [1].
Smiles
CN1C=2C(C=C(NC(=O)C3=CC=C(OC)C=C3)C1=O)=CC(Br)=CC2
Molecular Formula
C18H15BrN2O3
Molecular Weight
387.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6BrCaQ
CAS Number954416-67-2
PubChem CID70691890
IUPAC NameN-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-4-methoxybenzamide
Molecular FormulaC18H15BrN2O3
Molecular Weight387.2
XLogP3.2
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity528
SMILES
CN1C2=C(C=C(C=C2)Br)C=C(C1=O)NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H15BrN2O3/c1-21-16-8-5-13(19)9-12(16)10-15(18(21)23)20-17(22)11-3-6-14(24-2)7-4-11/h3-10H,1-2H3,(H,20,22)
InChIKey
RCKMJRZPGJEVGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6BrCaQ
CAS: 954416-67-2
CID: 70691890
Formula: C18H15BrN2O3
MW: 387.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.2
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass386.02660
Monoisotopic Mass386.02660
Topological Polar Surface Area58.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity528
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
MBS58044276BrCaQ
HY-1448316BrCaQ-C10-TPP

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