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OXFBD03

CAT: 0013-GTR19199841-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199841-03Size:100 mg
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Description
OXFBD03 is a small molecule inhibitor targeting the first bromodomain of BRD4 (BRD4 (1) ), a member of the BET protein family. It is a research tool used in vitro and in vivo to study the role of BRD4 in oncology, inflammation, and transcriptional regulation.
CAS Number
1429129-71-4
Field of Research
Epigenetics & Chromatin
Smiles
CC=1C (=C (C) ON1) C2=CC (C (O) C3=CC=CC=C3) =CC (OC (C) =O) =C2
Molecular Formula
C20H19NO4
Molecular Weight
337.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxfbd03
CAS Number1429129-71-4
PubChem CID71624782
IUPAC Name[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenyl] acetate
Molecular FormulaC20H19NO4
Molecular Weight337.4
XLogP3.4
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity451
SMILES
CC1=C(C(=NO1)C)C2=CC(=CC(=C2)OC(=O)C)C(C3=CC=CC=C3)O
InChI
InChI=1S/C20H19NO4/c1-12-19(13(2)25-21-12)16-9-17(11-18(10-16)24-14(3)22)20(23)15-7-5-4-6-8-15/h4-11,20,23H,1-3H3
InChIKey
BLNKHZBHJDYSGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxfbd03
CAS: 1429129-71-4
CID: 71624782
Formula: C20H19NO4
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass337.13140809
Monoisotopic Mass337.13140809
Topological Polar Surface Area72.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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