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BET-BAY 002

CAT: 1410-M12268-01Size: 1 EachDry Ice: NoHazardous: No
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Description
BET-BAY 002 is a potent BET bromodomain inhibitor; shows efficacy in a multiple myeloma model.
CAS Number
1588521-78-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
403.8642
Molecular Formula
C22H18ClN5O
Notes
Research use only, not for human use.
Receptor
Bromodomain

Chemical Information

Bet-bay 002
CAS Number1588521-78-1
PubChem CID73425805
IUPAC Name2-[[(4R)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]methyl]-5-methyl-1,3,4-oxadiazole
Molecular FormulaC22H18ClN5O
Molecular Weight403.9
XLogP4.1
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity610
SMILES
CC1=NN=C2N1C3=CC=CC=C3C(=C[C@H]2CC4=NN=C(O4)C)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H18ClN5O/c1-13-24-27-22-16(12-21-26-25-14(2)29-21)11-19(15-7-9-17(23)10-8-15)18-5-3-4-6-20(18)28(13)22/h3-11,16H,12H2,1-2H3/t16-/m0/s1
InChIKey
AGYIAWHWIUZNSD-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Bet-bay 002
CAS: 1588521-78-1
CID: 73425805
Formula: C22H18ClN5O
MW: 403.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.9
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass403.1199879
Monoisotopic Mass403.1199879
Topological Polar Surface Area69.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity610
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-12421-01BET-BAY 002
A16368-25BET-BAY 002 25mg
A16368-100BET-BAY 002 100mg
A16368-5BET-BAY 002 5mg
A16368-10BET-BAY 002 10mg
A16368-2BET-BAY 002 2mg
A16368-50BET-BAY 002 50mg
A16368-1BET-BAY 002 1mg
T10517-01BET-BAY 002 (S enantiomer)
A16368-10mM-DBET-BAY 002 10mM * 1mL in DMSO

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