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UNC7145

CAT: 0931-T84674-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84674-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2561494-78-6
Target
Others, Histone Methyltransferase
Related Pathways
Others, Chromatin/Epigenetic
Bioactivity
UNC6934 Negative Control (Axon 3591) is a chemically related compound that serves as a negative control for UNC6934, a potent and selective chemical probe that specifically targets the N-terminal PWWP (PWWP1) domain of NSD2.
Smiles
CC(C)N(Cc1ccc(cc1)C(=O)Nc1ccncn1)C(=O)c1ccc2NC(=O)COc2c1
Molecular Formula
C24H23N5O4
Molecular Weight
445.4705
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-oxo-N-(propan-2-yl)-N-((4-((pyrimidin-4-yl)carbamoyl)phenyl)methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
CAS Number2561494-78-6
PubChem CID156587156
IUPAC Name3-oxo-N-propan-2-yl-N-[[4-(pyrimidin-4-ylcarbamoyl)phenyl]methyl]-4H-1,4-benzoxazine-7-carboxamide
Molecular FormulaC24H23N5O4
Molecular Weight445.5
XLogP2.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity709
SMILES
CC(C)N(CC1=CC=C(C=C1)C(=O)NC2=NC=NC=C2)C(=O)C3=CC4=C(C=C3)NC(=O)CO4
InChI
InChI=1S/C24H23N5O4/c1-15(2)29(24(32)18-7-8-19-20(11-18)33-13-22(30)27-19)12-16-3-5-17(6-4-16)23(31)28-21-9-10-25-14-26-21/h3-11,14-15H,12-13H2,1-2H3,(H,27,30)(H,25,26,28,31)
InChIKey
HUIINGSTUYTZJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-oxo-N-(propan-2-yl)-N-((4-((pyrimidin-4-yl)carbamoyl)phenyl)methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
CAS: 2561494-78-6
CID: 156587156
Formula: C24H23N5O4
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass445.17500423
Monoisotopic Mass445.17500423
Topological Polar Surface Area114 Ų
Heavy Atom Count33
Formal Charge0
Complexity709
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

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