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AW68

CAT: 1410-M32823-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M32823-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AW68 is a potential small molecule BRD4 inhibitor that prevents and treats BRD4-related diseases and can be used in cancer research.
CAS Number
2247236-61-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
404.89
Molecular Formula
C22H21ClN6
Notes
Research use only, not for human use.
Receptor
Epigenetic Reader Domain

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
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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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