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CBP/p300-IN-5

CAT: 0931-T12346Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T12346Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1889284-33-6
Target
Histone Acetyltransferase, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Bioactivity
P300/CBP-IN-5 is a potent inhibitor of p300/CBP histone acetyltransferase (IC50 of 18.8 nM) .
Smiles
O=C1[C@]2(C=3C([C@H](F)C2)=CC(=CC3)C4=CN(CC(NC)=O)N=C4)NC(=O)N1CC(N(CC5=CC=C(F)C=C5)[C@H](C(F)(F)F)C)=O
Molecular Formula
C29H27F5N6O4
Molecular Weight
618.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CBP/p300-IN-5
CAS Number1889284-33-6
PubChem CID118956836
IUPAC Name2-[4-[(1S,3R)-3-fluoro-1'-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl]pyrazol-1-yl]-N-methylacetamide
Molecular FormulaC29H27F5N6O4
Molecular Weight618.6
XLogP3
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1120
SMILES
C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@@]3(C[C@H](C4=C3C=CC(=C4)C5=CN(N=C5)CC(=O)NC)F)NC2=O
InChI
InChI=1S/C29H27F5N6O4/c1-16(29(32,33)34)39(12-17-3-6-20(30)7-4-17)25(42)15-40-26(43)28(37-27(40)44)10-23(31)21-9-18(5-8-22(21)28)19-11-36-38(13-19)14-24(41)35-2/h3-9,11,13,16,23H,10,12,14-15H2,1-2H3,(H,35,41)(H,37,44)/t16-,23+,28-/m0/s1
InChIKey
SWXCHCQCWFXILM-DAXQEMQKSA-N
Chemical Structure
2D Structure
2D structure of CBP/p300-IN-5
CAS: 1889284-33-6
CID: 118956836
Formula: C29H27F5N6O4
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass618.20139417
Monoisotopic Mass618.20139417
Topological Polar Surface Area117 Ų
Heavy Atom Count44
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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