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ML-60218

CAT: 0013-GTR19169192-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169192-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML-60218
CAS Number
577784-91-9
Product Name Alternative
RNA Polymerase III inhibitor
Field of Research
Cell Biology
Purity
>98%
Bioactivity
RNA Polymerase III inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 35 mg/ml) or in Ethanol (up to 5 mg/ml with warming)
Smiles
Cc1c (sc2ccc (Cl) cc12) -c1cc (NS (=O) (=O) c2ccccc2Cl) n (C) n1
Molecular Formula
C19H15Cl2N3O2S2
Molecular Weight
452.38
Storage Conditions
RT
Notes
For research use only.

Chemical Information

2-chloro-N-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]benzenesulfonamide

ML-60218 is an organic molecular entity. It has a role as an EC 2.7.7.6 (RNA polymerase) inhibitor.

CAS Number577784-91-9
PubChem CID2824289
IUPAC Name2-chloro-N-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-yl]benzenesulfonamide
Molecular FormulaC19H15Cl2N3O2S2
Molecular Weight452.4
XLogP5.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity662
SMILES
CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)NS(=O)(=O)C4=CC=CC=C4Cl)C
InChI
InChI=1S/C19H15Cl2N3O2S2/c1-11-13-9-12(20)7-8-16(13)27-19(11)15-10-18(24(2)22-15)23-28(25,26)17-6-4-3-5-14(17)21/h3-10,23H,1-2H3
InChIKey
BVBDTTLISMIOJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]benzenesulfonamide
CAS: 577784-91-9
CID: 2824289
Formula: C19H15Cl2N3O2S2
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass450.9982745
Monoisotopic Mass450.9982745
Topological Polar Surface Area101 Ų
Heavy Atom Count28
Formal Charge0
Complexity662
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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