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BI-9564

CAT: 0957-S8113-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S8113-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1883429-22-8
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
CN1C=C (C2=C (C1=O) C=NC=C2) C3=C (C=C (C (=C3) OC) CN (C) C) OC
Molecular Formula
C20H23N3O3
Additionnal Information
BI-9564 is a selective inhibitor of BRD9 and BRD7 bromodomains with the IC50 of 75 nM and 3.4 μM, respectively.
Storage Conditions
2 years -80 in solvent

Chemical Information

BI-9564

an inhibitor of bromodomain-containing protein 9 (BRD9); structure in first source

CAS Number1883429-22-8
PubChem CID117072549
IUPAC Name4-[4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
Molecular FormulaC20H23N3O3
Molecular Weight353.4
XLogP1.4
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity536
SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=C(C=C(C(=C3)OC)CN(C)C)OC
InChI
InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
InChIKey
BJFSUDWKXGMUKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BI-9564
CAS: 1883429-22-8
CID: 117072549
Formula: C20H23N3O3
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass353.17394160
Monoisotopic Mass353.17394160
Topological Polar Surface Area54.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity536
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

CatalogName
MBS131573BI-9564 (BI 9564; BI9564)
442674-01BI 9564
M12927-01BI-9564

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