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DCH36_06

CAT: 0931-T9373-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T9373-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
593273-05-3
Target
Apoptosis, Epigenetic Reader Domain, Histone Acetyltransferase
Related Pathways
Apoptosis, Chromatin/Epigenetic
Purity
0.9832
Bioactivity
DCH36_06 ((5E) -1- (3-chloro-4-methylphenyl) -5-[ (2E) -3- (furan-2-yl) prop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6 (1H,5H) -dione) as a bona fide is a potent p300/CBP inhibitor
Smiles
Cc1ccc(cc1Cl)N1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
Molecular Formula
C18H13ClN2O3S
Molecular Weight
372.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(3-Chloro-4-methylphenyl)-5-(3-(furan-2-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS Number593273-05-3
PubChem CID1797299
IUPAC Name(5E)-1-(3-chloro-4-methylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.8
XLogP4
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity634
SMILES
CC1=C(C=C(C=C1)N2C(=O)/C(=C/C=C/C3=CC=CO3)/C(=O)NC2=S)Cl
InChI
InChI=1S/C18H13ClN2O3S/c1-11-7-8-12(10-15(11)19)21-17(23)14(16(22)20-18(21)25)6-2-4-13-5-3-9-24-13/h2-10H,1H3,(H,20,22,25)/b4-2+,14-6+
InChIKey
AYNCXNUUERDREH-FMDPHQNASA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Chloro-4-methylphenyl)-5-(3-(furan-2-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS: 593273-05-3
CID: 1797299
Formula: C18H13ClN2O3S
MW: 372.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.8
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass372.0335411
Monoisotopic Mass372.0335411
Topological Polar Surface Area94.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5786279DCH36_06

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