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PROTAC BRD4 ligand-3

CAT: 0804-HY-162876Size: 1 EachDry Ice: NoHazardous: No
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Description
PROTAC BRD4 ligand-3 is a PROTAC target protein ligand (Ligands for Target Protein for PROTACs). PROTAC BRD4 ligand-3 can be used for synthesis PROTAC BRD4 Degrader-27.
CAS Number
1445994-28-4
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-brd4-ligand-3.html
Smiles
CN1C=C(C2=C(C1=O)NC=C2)C3=CC(N)=CC=C3OC4=CC=C(C=C4F)F
Molecular Formula
C20H15F2N3O2
Molecular Weight
367.35
References & Citations
[1]Kong Y, et al. BRD4-specific PROTAC inhibits basal-like breast cancer partially through downregulating KLF5 expression. Oncogene. 2024 Sep;43 (39) :2914-2926.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PROTAC BRD4 ligand-3
CAS Number1445994-28-4
PubChem CID86721033
IUPAC Name4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
Molecular FormulaC20H15F2N3O2
Molecular Weight367.3
XLogP2.9
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity602
SMILES
CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)N)OC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C20H15F2N3O2/c1-25-10-15(13-6-7-24-19(13)20(25)26)14-9-12(23)3-5-17(14)27-18-4-2-11(21)8-16(18)22/h2-10,24H,23H2,1H3
InChIKey
NVUSQWQYTPQVBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC BRD4 ligand-3
CAS: 1445994-28-4
CID: 86721033
Formula: C20H15F2N3O2
MW: 367.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass367.11323305
Monoisotopic Mass367.11323305
Topological Polar Surface Area71.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity602
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

Related Products

CatalogName
HY-175242PROTAC BRD4 ligand-4
HY-132942PROTAC BRD4 ligand-2
HY-129939-01PROTAC BRD4 ligand-1
HY-132942A-01PROTAC BRD4 ligand-2 (hydrochloride)
HY-135558PROTAC BRD4 Degrader-3
HY-130612PROTAC BRD2/BRD4 degrader-1
HY-149948PROTAC BRD3/BRD4-L degrader-2
HY-175240PROTAC BRD4 Degrader-38
HY-174811PROTAC BRD4 Degrader-33
HY-162875PROTAC BRD4 Degrader-27

Alternative Products

CatalogName
T89841-01PROTAC BRD4 ligand-3
BUP04747-01PROTAC BRD4 ligand-1
T39628-01PROTAC BRD4 ligand-2
T211666-01PROTAC BRD4 ligand-4
T77921-01PROTAC BRD4 ligand-2 hydrochloride
T13835-01PROTAC BRD4 Degrader-3
GTR19275109-01PROTAC BRD4 ligand-1-NH-PEG-phenol-PEG-COOtBu
T211940-01PROTAC BRD4 Degrader-37
T211537-01PROTAC BRD4 Degrader-38
T211533-01PROTAC BRD4 Degrader-36

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