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NPX800

CAT: 0931-T9804-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T9804-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1693734-80-3
Target
HSP
Related Pathways
Cytoskeletal Signaling, Metabolism
Purity
0.9945
Bioactivity
NPX800 is an inhibitor of heat shock factor 1 (HSF1) and can be used in studies about the treatment of cancer.
Smiles
CCN1CCN(Cc2ccc3cc(ccc3n2)C(=O)Nc2cc(NC(=O)c3ccc4OCCOc4c3)ccc2F)CC1
Molecular Formula
C32H32FN5O4
Molecular Weight
569.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(5-(2,3-dihydrobenzo(b)(1,4)dioxine-6-carboxamido)-2-fluorophenyl)-2-((4-ethylpiperazin-1-yl)methyl)quinoline-6-carboxamide
CAS Number1693734-80-3
PubChem CID117996795
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-2-[(4-ethylpiperazin-1-yl)methyl]quinoline-6-carboxamide
Molecular FormulaC32H32FN5O4
Molecular Weight569.6
XLogP3.7
Topological Polar Surface Area96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity919
SMILES
CCN1CCN(CC1)CC2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCCO6)F
InChI
InChI=1S/C32H32FN5O4/c1-2-37-11-13-38(14-12-37)20-25-6-3-21-17-22(4-9-27(21)34-25)32(40)36-28-19-24(7-8-26(28)33)35-31(39)23-5-10-29-30(18-23)42-16-15-41-29/h3-10,17-19H,2,11-16,20H2,1H3,(H,35,39)(H,36,40)
InChIKey
UBALMDIKIGDHJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-(2,3-dihydrobenzo(b)(1,4)dioxine-6-carboxamido)-2-fluorophenyl)-2-((4-ethylpiperazin-1-yl)methyl)quinoline-6-carboxamide
CAS: 1693734-80-3
CID: 117996795
Formula: C32H32FN5O4
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass569.24383268
Monoisotopic Mass569.24383268
Topological Polar Surface Area96 Ų
Heavy Atom Count42
Formal Charge0
Complexity919
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
E1208NPX800

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