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DC_M5_2

CAT: 0931-T68821-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68821-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
713099-37-7
Target
Others
Related Pathways
Others
Bioactivity
DC_M5_2 is a novel inhibitor of wdr5-mll1 interaction
Smiles
O=C1C=2C(C3=C(N(C)C2CCC1)CCCC3=O)C4=C(OCC(O)=O)C=CC(Br)=C4
Molecular Formula
C22H22BrNO5
Molecular Weight
460.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[4-bromo-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetic acid
CAS Number713099-37-7
PubChem CID1006800
IUPAC Name2-[4-bromo-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetic acid
Molecular FormulaC22H22BrNO5
Molecular Weight460.3
XLogP2.7
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity757
SMILES
CN1C2=C(C(C3=C1CCCC3=O)C4=C(C=CC(=C4)Br)OCC(=O)O)C(=O)CCC2
InChI
InChI=1S/C22H22BrNO5/c1-24-14-4-2-6-16(25)21(14)20(22-15(24)5-3-7-17(22)26)13-10-12(23)8-9-18(13)29-11-19(27)28/h8-10,20H,2-7,11H2,1H3,(H,27,28)
InChIKey
FILGLJILLSAIJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-bromo-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetic acid
CAS: 713099-37-7
CID: 1006800
Formula: C22H22BrNO5
MW: 460.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.3
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass459.06814
Monoisotopic Mass459.06814
Topological Polar Surface Area83.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity757
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
GTR19211125-01DC_M5_2

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