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LW479

CAT: 0931-T63145-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63145-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1688677-89-5
Target
Others, HDAC
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair, Others
Bioactivity
LW479 is a novel inhibitor of HDAC and is a promising candidate for the prevention of breast cancer.
Smiles
O=C1N(C(SC1)C2=CC(Br)=CC=C2)C3=C(OCCCCCC(NO)=O)C=CC=C3
Molecular Formula
C21H23BrN2O4S
Molecular Weight
479.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LW479
CAS Number1688677-89-5
PubChem CID91900719
IUPAC Name6-[2-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-hydroxyhexanamide
Molecular FormulaC21H23BrN2O4S
Molecular Weight479.4
XLogP3.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity553
SMILES
C1C(=O)N(C(S1)C2=CC(=CC=C2)Br)C3=CC=CC=C3OCCCCCC(=O)NO
InChI
InChI=1S/C21H23BrN2O4S/c22-16-8-6-7-15(13-16)21-24(20(26)14-29-21)17-9-3-4-10-18(17)28-12-5-1-2-11-19(25)23-27/h3-4,6-10,13,21,27H,1-2,5,11-12,14H2,(H,23,25)
InChIKey
XRAVVAITOQNASO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LW479
CAS: 1688677-89-5
CID: 91900719
Formula: C21H23BrN2O4S
MW: 479.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass478.05619
Monoisotopic Mass478.05619
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-135606LW479

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