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CAT: 0607-B4895-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B4895-25Size:25 mg
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Description
BRPF1B and BRPF2 bromodomain inhibitor
CAS Number
919973-83-4
Product Name Alternative
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methylbenzenesulfonamide
Field of Research
Chromatin Epigenetics Bromodomain
Purity
0.98
Solubility
insoluble in H2O; insoluble in EtOH; ≥14.55 mg/mL in DMSO
Smiles
CN1C2=C(C=C(OC)C(NS(=O)(C3=C(C)C=C(Br)C=C3)=O)=C2)N(C)C1=O
Molecular Formula
C17H18BrN3O4S
Molecular Weight
440.31
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
CAS Number919973-83-4
PubChem CID35397514
IUPAC Name4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
Molecular FormulaC17H18BrN3O4S
Molecular Weight440.3
XLogP2.5
Topological Polar Surface Area87.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity640
SMILES
CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C
InChI
InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
InChIKey
YUNQZQREIHWDQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
CAS: 919973-83-4
CID: 35397514
Formula: C17H18BrN3O4S
MW: 440.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass439.02014
Monoisotopic Mass439.02014
Topological Polar Surface Area87.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity640
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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