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DC-S238

CAT: 0931-T68613-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68613-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
832109-48-5
Target
Others
Related Pathways
Others
Bioactivity
DC-S238 is a potent and selective histone methyltransferase SET7 inhibitor.
Smiles
C(OC)(=O)C=1C(C)=C(C(NC2=CC(N(=O)=O)=CC=C2)=O)SC1N
Molecular Formula
C14H13N3O5S
Molecular Weight
335.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-amino-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate
CAS Number832109-48-5
PubChem CID2233086
IUPAC Namemethyl 2-amino-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate
Molecular FormulaC14H13N3O5S
Molecular Weight335.34
XLogP3
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity484
SMILES
CC1=C(SC(=C1C(=O)OC)N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O5S/c1-7-10(14(19)22-2)12(15)23-11(7)13(18)16-8-4-3-5-9(6-8)17(20)21/h3-6H,15H2,1-2H3,(H,16,18)
InChIKey
BSKMIMMIUZSPKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-amino-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate
CAS: 832109-48-5
CID: 2233086
Formula: C14H13N3O5S
MW: 335.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.34
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass335.05759170
Monoisotopic Mass335.05759170
Topological Polar Surface Area155 Ų
Heavy Atom Count23
Formal Charge0
Complexity484
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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CatalogName
GTR19211351-01DC-S238
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