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HTS07944

CAT: 0013-GTR19238278-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238278-03Size:100 mg
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Description
HTS07944 is a small molecule laminin receptor (37 LR) modulator that induces apoptosis via Caspase-3/7 activation. It is used in cancer research, demonstrating cytotoxic effects in vitro against various cancer cell lines and showing potential for in vivo antitumor studies.
CAS Number
706758-28-3
Smiles
O=C (C1=CC (F) =CC2=C1OCOC2) N3CCN (CC3) C4C=5C=CC=CC5C=6C=CC=CC64
Molecular Formula
C26H23FN2O3
Molecular Weight
430.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-(9H-fluoren-9-yl)piperazin-1-yl]-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
CAS Number706758-28-3
PubChem CID2813921
IUPAC Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
Molecular FormulaC26H23FN2O3
Molecular Weight430.5
XLogP3.7
Topological Polar Surface Area42
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity662
SMILES
C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)C(=O)C5=CC(=CC6=C5OCOC6)F
InChI
InChI=1S/C26H23FN2O3/c27-18-13-17-15-31-16-32-25(17)23(14-18)26(30)29-11-9-28(10-12-29)24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-8,13-14,24H,9-12,15-16H2
InChIKey
XZXLTQQMDYGJAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(9H-fluoren-9-yl)piperazin-1-yl]-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
CAS: 706758-28-3
CID: 2813921
Formula: C26H23FN2O3
MW: 430.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass430.16927076
Monoisotopic Mass430.16927076
Topological Polar Surface Area42 Ų
Heavy Atom Count32
Formal Charge0
Complexity662
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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