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AW68

CAT: 0013-GTR19219930-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219930-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AW68 is a potent and selective small-molecule inhibitor of BRD4, applicable for cancer research. It demonstrates efficacy in both in vitro cellular assays and in vivo models, making it a valuable chemical probe for studying BET protein function in oncology and related diseases.
CAS Number
2247236-61-7
Product Name Alternative
Epigenetic Reader Domain, EpigeneticReaderDomain, BRD4, AW68
Field of Research
Epigenetics & Chromatin
Purity
98.52% (May vary between batches)
Smiles
N ([C@@H]1C=2C (N3C (CC1) =NN=C3C) =CC=C (C2) C=4C=NN (C) C4) C5=CC=C (Cl) C=C5
Molecular Formula
C22H21ClN6
Molecular Weight
404.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(6S)-N-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CAS Number2247236-61-7
PubChem CID155511268
IUPAC Name(6S)-N-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
Molecular FormulaC22H21ClN6
Molecular Weight404.9
XLogP4
Topological Polar Surface Area60.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity555
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)C4=CN(N=C4)C)[C@H](CC2)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H21ClN6/c1-14-26-27-22-10-8-20(25-18-6-4-17(23)5-7-18)19-11-15(3-9-21(19)29(14)22)16-12-24-28(2)13-16/h3-7,9,11-13,20,25H,8,10H2,1-2H3/t20-/m0/s1
InChIKey
MDRXOFSNECSECW-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (6S)-N-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
CAS: 2247236-61-7
CID: 155511268
Formula: C22H21ClN6
MW: 404.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.9
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass404.1516224
Monoisotopic Mass404.1516224
Topological Polar Surface Area60.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity555
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

Alternative Products

CatalogName
BUP00449-01AW68

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