Products for Research Use Only

ZEN-3411

CAT: 0013-GTR19204990-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204990-01Size:1 mg
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Description
ZEN-3411 is a potent, orally bioavailable BET inhibitor targeting BRD4 bromodomains. It suppresses the proliferation of BET-dependent tumor cells in vitro and has demonstrated antitumor efficacy in vivo, making it a valuable chemical probe for oncology and epigenetics research.
CAS Number
1952264-36-6
Product Name Alternative
BRD4 (BD1BD2), BRD4BD1, BET, BRD4 BD2, EpigeneticReaderDomain, Epigenetic Reader Domain, ZEN 3411, ZEN3411, ZEN-3411
Field of Research
Epigenetics & Chromatin
Purity
97.51% (May vary between batches)
Smiles
C (N1C=2C (=C (N) C=C (C2) C=3C (C) =NOC3C) N=C1) C4=CC=C (C=C4) C5CO5
Molecular Formula
C21H20N4O2
Molecular Weight
360.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
CAS Number1952264-36-6
PubChem CID121414854
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
Molecular FormulaC21H20N4O2
Molecular Weight360.4
XLogP2.7
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity526
SMILES
CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C=N3)CC4=CC=C(C=C4)C5CO5)N
InChI
InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3
InChIKey
XINQCOMOQIYWTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
CAS: 1952264-36-6
CID: 121414854
Formula: C21H20N4O2
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass360.15862589
Monoisotopic Mass360.15862589
Topological Polar Surface Area82.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity526
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