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ZEN-3862

CAT: 0013-GTR19204879-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204879-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZEN-3862 (Willardiine) is a potent, dual-bromodomain BET inhibitor with IC50 values of 0.16 μM and 0.13 μM for BRD4 (BD1) and BRD4 (BD2), respectively. This small molecule serves as a versatile ligand for constructing PROTAC degraders to selectively deplete BRD4 protein levels in cellular and biochemical research.
CAS Number
1952264-33-3
Product Name Alternative
EpigeneticReaderDomain, Epigenetic Reader Domain, BRD4BD1, BRD4-BD2, BRD4 BD2, BD1-BRD4, ZEN 3862, ZEN3862, ZEN-3862
Field of Research
Epigenetics & Chromatin
Purity
97.10% (May vary between batches)
Solubility
DMSO:Soluble
Smiles
CC=1C (C2=CN (CC3=CC (F) =C (C=C3) C4CO4) C (=O) C=C2) =C (C) ON1
Molecular Formula
C19H17FN2O3
Molecular Weight
340.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one
CAS Number1952264-33-3
PubChem CID121414853
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one
Molecular FormulaC19H17FN2O3
Molecular Weight340.3
XLogP1.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity593
SMILES
CC1=C(C(=NO1)C)C2=CN(C(=O)C=C2)CC3=CC(=C(C=C3)C4CO4)F
InChI
InChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3
InChIKey
VQHDSZCBMWYGEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[3-fluoro-4-(oxiran-2-yl)phenyl]methyl]pyridin-2-one
CAS: 1952264-33-3
CID: 121414853
Formula: C19H17FN2O3
MW: 340.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.3
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass340.12232057
Monoisotopic Mass340.12232057
Topological Polar Surface Area58.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity593
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

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