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BG47

CAT: 0931-T26787-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26787-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628784-54-2
Target
Others, Histone Methyltransferase, HDAC
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic, Others
Bioactivity
BG47 is a probe for 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(ccc1O)-c1cccs1 |w:10.11|
Molecular Formula
C25H22N4O2S
Molecular Weight
442.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

cis-BG47
CAS Number1628784-54-2
PubChem CID136391459
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-hydroxy-5-thiophen-2-ylphenyl)benzamide
Molecular FormulaC25H22N4O2S
Molecular Weight442.5
XLogP5.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity629
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)O
InChI
InChI=1S/C25H22N4O2S/c1-29(2)21-12-10-20(11-13-21)28-27-19-8-5-17(6-9-19)25(31)26-22-16-18(7-14-23(22)30)24-4-3-15-32-24/h3-16,30H,1-2H3,(H,26,31)
InChIKey
PNYUFPRPRATUNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of cis-BG47
CAS: 1628784-54-2
CID: 136391459
Formula: C25H22N4O2S
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass442.14634713
Monoisotopic Mass442.14634713
Topological Polar Surface Area106 Ų
Heavy Atom Count32
Formal Charge0
Complexity629
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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Alternative Products

CatalogName
HY-117583ABG47
HY-117583-01Cis-BG47

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