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BRD4 Inhibitor-12

CAT: 0804-HY-132128-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132128-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD4 Inhibitor-12 (Compound 9) is a BRD4 ligand, and can be used for research of cancer, infammation[1].
CAS Number
328956-24-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/brd4-inhibitor-12.html
Smiles
O=C1NC2=C(C=C(Br)C=C2)CN1C
Molecular Formula
C9H9BrN2O
Molecular Weight
241.08
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Wright DW, et al. Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4. Sci Rep. 2019 Apr 12;9 (1) :6017.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
BRD4

Chemical Information

6-Bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one
CAS Number328956-24-7
PubChem CID2927305
IUPAC Name6-bromo-3-methyl-1,4-dihydroquinazolin-2-one
Molecular FormulaC9H9BrN2O
Molecular Weight241.08
XLogP1.4
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity222
SMILES
CN1CC2=C(C=CC(=C2)Br)NC1=O
InChI
InChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKey
FZPAKYJRNKYQBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one
CAS: 328956-24-7
CID: 2927305
Formula: C9H9BrN2O
MW: 241.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.08
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass239.98983
Monoisotopic Mass239.98983
Topological Polar Surface Area32.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity222
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

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