Products for Research Use Only

Bromodomain inhibitor-9

CAT: 0013-GTR19185442-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185442-01Size:25 mg
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Description
Bromodomain inhibitor-9 is a potent and selective BRD4-1 inhibitor with a Kd of 12 nM. It is a valuable chemical probe for research into inflammatory, fibrotic, and metabolic diseases, and has been utilized in both cellular and animal model studies.
CAS Number
1870849-34-5
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
C (NC=1C=C2C (=CC1C) NC (=O) C=C2C) (=O) C3=C (C=CC (S (N (C) C) (=O) =O) =C3) N4CCOCC4
Molecular Formula
C24H28N4O5S
Molecular Weight
484.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bromodomain inhibitor-9
CAS Number1870849-34-5
PubChem CID118695109
IUPAC NameN-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
Molecular FormulaC24H28N4O5S
Molecular Weight484.6
XLogP1.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity909
SMILES
CC1=CC2=C(C=C1NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCOCC4)C(=CC(=O)N2)C
InChI
InChI=1S/C24H28N4O5S/c1-15-12-23(29)25-21-11-16(2)20(14-18(15)21)26-24(30)19-13-17(34(31,32)27(3)4)5-6-22(19)28-7-9-33-10-8-28/h5-6,11-14H,7-10H2,1-4H3,(H,25,29)(H,26,30)
InChIKey
WVIPVRJNDZWQGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromodomain inhibitor-9
CAS: 1870849-34-5
CID: 118695109
Formula: C24H28N4O5S
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass484.17804118
Monoisotopic Mass484.17804118
Topological Polar Surface Area116 Ų
Heavy Atom Count34
Formal Charge0
Complexity909
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