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BRD4 Inhibitor-10

CAT: 1568-C13509-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C13509-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1660117-38-3
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
CC1=CC (=NN (C1=O) C) C2=NC3=CN=C (C=C3N2C (C) C4=CC=CC=C4) C5CCOCC5
Molecular Formula
C25H27N5O2
Additionnal Information
BRD4 Inhibitor-10 is a potent BRD4-BD1 inhibitor with an IC50 of 8 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

BI 894999

Bromodomain and extraterminal domain (BET) inhibitor

CAS Number1660117-38-3
PubChem CID90647162
IUPAC Name2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
Molecular FormulaC25H27N5O2
Molecular Weight429.5
XLogP3
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity755
SMILES
CC1=CC(=NN(C1=O)C)C2=NC3=CN=C(C=C3N2[C@@H](C)C4=CC=CC=C4)C5CCOCC5
InChI
InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1
InChIKey
QNFGQQDKBYVNAS-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of BI 894999
CAS: 1660117-38-3
CID: 90647162
Formula: C25H27N5O2
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass429.21647512
Monoisotopic Mass429.21647512
Topological Polar Surface Area72.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity755
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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Alternative Products

CatalogName
HY-117491-01BRD4 Inhibitor-10
A18679-200BRD4 Inhibitor-10 200mg
A18679-100BRD4 Inhibitor-10 100mg
A18679-10BRD4 Inhibitor-10 10mg
A18679-1BRD4 Inhibitor-10 1mg
A18679-50BRD4 Inhibitor-10 50mg
A18679-25BRD4 Inhibitor-10 25mg
A18679-5BRD4 Inhibitor-10 5mg
A18679-10mM-DBRD4 Inhibitor-10 10mM * 1mL in DMSO
T210820-01BRD4-IN-10

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