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CCT245232

CAT: 0931-T62775-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T62775-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1693731-14-4
Target
Others, HSP
Related Pathways
Others, Metabolism, Cytoskeletal Signaling
Bioactivity
CCT245232 is a potent inhibitor of heat-stimulated factor 1 (HSF1) with potential applications in studies of proliferative diseases, such as cancer.
Smiles
Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Molecular Formula
C27H23N3O4
Molecular Weight
453.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 117996541
CAS Number1693731-14-4
PubChem CID117996541
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-methylquinoline-6-carboxamide
Molecular FormulaC27H23N3O4
Molecular Weight453.5
XLogP4.3
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity733
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=C(C=C4)N=C(C=C5)C
InChI
InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
RZQWMJAOUJLEAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 117996541
CAS: 1693731-14-4
CID: 117996541
Formula: C27H23N3O4
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass453.16885622
Monoisotopic Mass453.16885622
Topological Polar Surface Area89.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity733
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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