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NCDM-32B

CAT: 0931-T28138-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28138-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1239468-48-4
Target
Others, Histone Demethylase
Related Pathways
Chromatin/Epigenetic, Others
Bioactivity
NCDM-32B, a novel potent and selective KDM4 inhibitor, impairs viability and transforms phenotypes of basal breast cancer.
Smiles
C(N(CCC(OC)=O)O)(CCCCCCCCN(C)C)=O
Molecular Formula
C15H30N2O4
Molecular Weight
302.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NCDM-32b
CAS Number1239468-48-4
PubChem CID46901417
IUPAC Namemethyl 3-[9-(dimethylamino)nonanoyl-hydroxyamino]propanoate
Molecular FormulaC15H30N2O4
Molecular Weight302.41
XLogP1.7
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count21
Formal Charge0
Complexity295
SMILES
CN(C)CCCCCCCCC(=O)N(CCC(=O)OC)O
InChI
InChI=1S/C15H30N2O4/c1-16(2)12-9-7-5-4-6-8-10-14(18)17(20)13-11-15(19)21-3/h20H,4-13H2,1-3H3
InChIKey
KDYRPQNFCURCQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NCDM-32b
CAS: 1239468-48-4
CID: 46901417
Formula: C15H30N2O4
MW: 302.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight302.41
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass302.22055744
Monoisotopic Mass302.22055744
Topological Polar Surface Area70.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity295
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