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TC-E 5003

CAT: 1410-M23780-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M23780-03Size:100 mg
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Description
TC-E 5003 is a selective inhibitor of PRMT1 with IC50 of 1.5 μM.
CAS Number
17328-16-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
401.26
Molecular Formula
C16H14Cl2N2O4S
Notes
Research use only, not for human use.
Receptor
PRMT1

Chemical Information

Sulfone, bis((4-chloroacetylamino)phenyl)
CAS Number17328-16-4
PubChem CID87052
IUPAC Name2-chloro-N-[4-[4-[(2-chloroacetyl)amino]phenyl]sulfonylphenyl]acetamide
Molecular FormulaC16H14Cl2N2O4S
Molecular Weight401.3
XLogP2.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity519
SMILES
C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCl
InChI
InChI=1S/C16H14Cl2N2O4S/c17-9-15(21)19-11-1-5-13(6-2-11)25(23,24)14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKey
SHRCVZJKZJGIHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfone, bis((4-chloroacetylamino)phenyl)
CAS: 17328-16-4
CID: 87052
Formula: C16H14Cl2N2O4S
MW: 401.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.3
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass400.0051335
Monoisotopic Mass400.0051335
Topological Polar Surface Area101 Ų
Heavy Atom Count25
Formal Charge0
Complexity519
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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Alternative Products

CatalogName
B7750-50TC-E 5003
A16378-500TC-E 5003 500mg
A16378-50TC-E 5003 50mg
A16378-200TC-E 5003 200mg
A16378-100TC-E 5003 100mg
A16378-25TC-E 5003 25mg

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