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BG48

CAT: 0931-T26788-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26788-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628784-53-1
Target
Others, HDAC
Related Pathways
Chromatin/Epigenetic, Others, DNA Damage/DNA Repair
Bioactivity
BG48 is a probe of chemo-optical modulation of epigenetically regulated transcription (COMET) . It enables high-resolution, optical control of epigenetic mechanisms and photochromically inhibits human histone deacetylases using visible light.
Smiles
CN(C)c1ccc(cc1)N=Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Molecular Formula
C25H23N5OS
Molecular Weight
441.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-aminophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CAS Number1628784-53-1
PubChem CID78425910
IUPAC NameN-(2-aminophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
Molecular FormulaC21H21N5O
Molecular Weight359.4
XLogP4
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity493
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N
InChI
InChI=1S/C21H21N5O/c1-26(2)18-13-11-17(12-14-18)25-24-16-9-7-15(8-10-16)21(27)23-20-6-4-3-5-19(20)22/h3-14H,22H2,1-2H3,(H,23,27)
InChIKey
JTNDTZSCCLTZNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-aminophenyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CAS: 1628784-53-1
CID: 78425910
Formula: C21H21N5O
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass359.17461031
Monoisotopic Mass359.17461031
Topological Polar Surface Area83.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity493
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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