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BRD4-IN-7

CAT: 0013-GTR19236324-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236324-02Size:50 mg
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Description
BRD4-IN-7 (compound 120) is a selective bromodomain inhibitor of BRD4. It is a valuable chemical probe for studying BET protein function in oncology and inflammation research, with utility in both cellular and animal model studies.
CAS Number
1446232-98-9
Field of Research
Epigenetics & Chromatin
Smiles
O (C1=C (C=C (C (NC2=CC=C (N (C) C) C=C2) =O) C=C1) C=3C4=C (C (=O) N (C) C3) NC=C4) C5=C (F) C=C (F) C=C5
Molecular Formula
C29H24F2N4O3
Molecular Weight
514.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Brd4-IN-7
CAS Number1446232-98-9
PubChem CID89657633
IUPAC Name4-(2,4-difluorophenoxy)-N-[4-(dimethylamino)phenyl]-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Molecular FormulaC29H24F2N4O3
Molecular Weight514.5
XLogP4.5
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity893
SMILES
CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)N(C)C)OC5=C(C=C(C=C5)F)F
InChI
InChI=1S/C29H24F2N4O3/c1-34(2)20-8-6-19(7-9-20)33-28(36)17-4-10-25(38-26-11-5-18(30)15-24(26)31)22(14-17)23-16-35(3)29(37)27-21(23)12-13-32-27/h4-16,32H,1-3H3,(H,33,36)
InChIKey
CDWCCBQFAZVRIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brd4-IN-7
CAS: 1446232-98-9
CID: 89657633
Formula: C29H24F2N4O3
MW: 514.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass514.18164696
Monoisotopic Mass514.18164696
Topological Polar Surface Area77.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity893
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

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T85914-01BRD4-IN-7
sc-518021BRD4 (A-7)
T206812-01BRD4 ligand 7
sc-518021 HRPBRD4 (A-7) HRP
sc-518021 ACBRD4 (A-7) AC
sc-518021 PEBRD4 (A-7) PE
sc-518021 FITCBRD4 (A-7) FITC
T74090-01PROTAC BRD4 Degrader-7
sc-518021 AF790BRD4 (A-7) Alexa Fluor® 790
sc-518021 AF546BRD4 (A-7) Alexa Fluor® 546

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