Products for Research Use Only

CCT077791

CAT: 0013-GTR19199395-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199395-03Size:100 mg
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Description
CCT077791 is a small molecule inhibitor that potently targets the histone acetyltransferase activities of p300 and PCAF. It is a valuable research tool for studying epigenetic mechanisms in cancer, with applications in both in vitro cellular assays and in vivo model systems.
CAS Number
748777-47-1
Field of Research
Epigenetics & Chromatin
Purity
98.60% (May vary between batches)
Smiles
O=C1N (SC (Cl) =C1) C2=CC=C (N (=O) =O) C=C2
Molecular Formula
C9H5ClN2O3S
Molecular Weight
256.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone
CAS Number748777-47-1
PubChem CID11184436
IUPAC Name5-chloro-2-(4-nitrophenyl)-1,2-thiazol-3-one
Molecular FormulaC9H5ClN2O3S
Molecular Weight256.67
XLogP2.3
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity347
SMILES
C1=CC(=CC=C1N2C(=O)C=C(S2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H5ClN2O3S/c10-8-5-9(13)11(16-8)6-1-3-7(4-2-6)12(14)15/h1-5H
InChIKey
RBOAUBASDMUWJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-(4-nitrophenyl)-3(2H)-isothiazolone
CAS: 748777-47-1
CID: 11184436
Formula: C9H5ClN2O3S
MW: 256.67
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.67
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass255.9709409
Monoisotopic Mass255.9709409
Topological Polar Surface Area91.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity347
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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