Products for Research Use Only

WDR5-47

CAT: 0013-GTR19184293-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184293-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WDR5-47 is a potent and selective small molecule inhibitor of the MLL1-WDR5 protein-protein interaction, exhibiting an IC50 of 0.3 μM. It is a valuable chemical probe for epigenetic research, enabling the study of MLL1 function and its role in leukemia in both cellular and biochemical assays.
CAS Number
1422389-91-0
Product Name Alternative
MLL1-WDR5, Histone Methyltransferase, HistoneMethyltransferase, WDR547, WDR5-47
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Purity
98.08% (May vary between batches)
Solubility
DMSO:25 mg/mL (61.45 mM)
Smiles
N (C (=O) C1=C (Cl) C (C) =C (F) C=C1) C2=C (C=CC (N (=O) =O) =C2) N3CCN (C) CC3
Molecular Formula
C19H20ClFN4O3
Molecular Weight
406.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-4-fluoro-3-methyl-N-(2-(4-methylpiperazin-1-yl)-5-nitrophenyl)benzamide
CAS Number1422389-91-0
PubChem CID70679466
IUPAC Name2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
Molecular FormulaC19H20ClFN4O3
Molecular Weight406.8
XLogP3.6
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity570
SMILES
CC1=C(C=CC(=C1Cl)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C)F
InChI
InChI=1S/C19H20ClFN4O3/c1-12-15(21)5-4-14(18(12)20)19(26)22-16-11-13(25(27)28)3-6-17(16)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,26)
InChIKey
QHWMIGPLLWYRIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-fluoro-3-methyl-N-(2-(4-methylpiperazin-1-yl)-5-nitrophenyl)benzamide
CAS: 1422389-91-0
CID: 70679466
Formula: C19H20ClFN4O3
MW: 406.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.8
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass406.1207964
Monoisotopic Mass406.1207964
Topological Polar Surface Area81.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity570
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