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DW71177

CAT: 1568-C01962-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01962-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2241311-72-6
SKU
C01962-5mg
Target
Epigenetic Reader Domain
Applications
Epigenetics
Additionnal Information
DW71177 is a potent BD1-Selective inhibitor of BET. DW71177 selectively interacts with BD1 and exhibits strong antileukemic activity. DW71177 can also be used in the study of acute myeloid leukemia.

Chemical Information

N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide
CAS Number2241311-72-6
PubChem CID135276440
IUPAC NameN-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide
Molecular FormulaC20H28N6O2
Molecular Weight384.5
XLogP3.5
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity505
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2NCCCCNC(=O)CC(C)C
InChI
InChI=1S/C20H28N6O2/c1-13(2)11-18(27)21-9-5-6-10-22-19-20-25-24-14(3)26(20)17-8-7-15(28-4)12-16(17)23-19/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,21,27)(H,22,23)
InChIKey
NAPOLFVZKFHOBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide
CAS: 2241311-72-6
CID: 135276440
Formula: C20H28N6O2
MW: 384.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight384.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass384.22737416
Monoisotopic Mass384.22737416
Topological Polar Surface Area93.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity505
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

Alternative Products

CatalogName
A24407-100DW71177 100mg
BA4749-10DW71177
A24407-10DW71177 10mg
A24407-50DW71177 50mg
A24407-5DW71177 5mg

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