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UMB298

CAT: 0931-T9194-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9194-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2266569-73-5
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Purity
0.9983
Bioactivity
UMB298 is a potent and selective CBP/P300 bromodomain inhibitor that inhibits BRD4 with an IC50 of 5193nM.
Smiles
COc1ccc(CCc2nc3cc(ccn3c2NC2CCCCC2)-c2c(C)noc2C)cc1Cl
Molecular Formula
C27H31ClN4O2
Molecular Weight
479.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-Chloro-4-methoxyphenethyl)-N-cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CAS Number2266569-73-5
PubChem CID137409212
IUPAC Name2-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
Molecular FormulaC27H31ClN4O2
Molecular Weight479.0
XLogP7.6
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity650
SMILES
CC1=C(C(=NO1)C)C2=CC3=NC(=C(N3C=C2)NC4CCCCC4)CCC5=CC(=C(C=C5)OC)Cl
InChI
InChI=1S/C27H31ClN4O2/c1-17-26(18(2)34-31-17)20-13-14-32-25(16-20)30-23(27(32)29-21-7-5-4-6-8-21)11-9-19-10-12-24(33-3)22(28)15-19/h10,12-16,21,29H,4-9,11H2,1-3H3
InChIKey
NZXSWCLCRDCHGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Chloro-4-methoxyphenethyl)-N-cyclohexyl-7-(3,5-dimethylisoxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CAS: 2266569-73-5
CID: 137409212
Formula: C27H31ClN4O2
MW: 479.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.0
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass478.2135539
Monoisotopic Mass478.2135539
Topological Polar Surface Area64.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity650
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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