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CHEMBRDG-BB 7118966

CAT: 1410-M22252-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M22252-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHEMBRDG-BB 7118966 is an inhibitor of Bromodomain-containing protein 4 (human) .
CAS Number
328956-24-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
241.09
Molecular Formula
C9H9BrN2O
Notes
Research use only, not for human use.
Receptor
Bromodomain-containing protein 4 (human)

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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