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GSK737

CAT: 0013-GTR19230745-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230745-03Size:100 mg
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Description
GSK737 is a potent dual BET bromodomain inhibitor, targeting both BD1 (pIC50 5.3) and BD2 (pIC50 7.3) of BRD4. It is characterized by favorable pharmacokinetic properties, including low clearance, good solubility, and permeability, making it a suitable chemical probe for in vitro and in vivo studies of BET protein function in oncology and inflammation research.
CAS Number
2748687-95-6
Field of Research
Epigenetics & Chromatin
Smiles
O ([C@@H] (C) C1=CC=CC=N1) C2=C (C=C (C (NC3CC3) =O) C=C2) C=4N=NN (C) C4
Molecular Formula
C20H21N5O2
Molecular Weight
363.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
CAS Number2748687-95-6
PubChem CID164619719
IUPAC NameN-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
Molecular FormulaC20H21N5O2
Molecular Weight363.4
XLogP2
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity515
SMILES
C[C@@H](C1=CC=CC=N1)OC2=C(C=C(C=C2)C(=O)NC3CC3)C4=CN(N=N4)C
InChI
InChI=1S/C20H21N5O2/c1-13(17-5-3-4-10-21-17)27-19-9-6-14(20(26)22-15-7-8-15)11-16(19)18-12-25(2)24-23-18/h3-6,9-13,15H,7-8H2,1-2H3,(H,22,26)/t13-/m0/s1
InChIKey
NTLLKKOHPKDCSW-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of N-cyclopropyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
CAS: 2748687-95-6
CID: 164619719
Formula: C20H21N5O2
MW: 363.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass363.16952493
Monoisotopic Mass363.16952493
Topological Polar Surface Area81.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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