PU23

CAT: 1410-M29003-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1410-M29003-07Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

PU 23 is an inhibitor of multidrug-resistant protein 4 (MRP4) .

CAS Number

817635-93-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

425.52

Molecular Formula

C21H19N3O3S2

Notes

Research use only, not for human use.

Receptor

MRP

Chemical Information

N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]benzamide

CAS Number	817635-93-1
PubChem CID	4779049
IUPAC Name	N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]benzamide
Molecular Formula	C21H19N3O3S2
Molecular Weight	425.5
XLogP	4
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	643

SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S2/c25-20(17-9-5-2-6-10-17)24-21(28)23-18-11-13-19(14-12-18)29(26,27)22-15-16-7-3-1-4-8-16/h1-14,22H,15H2,(H2,23,24,25,28)

InChIKey

RYIRRFWVFHEXTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 817635-93-1

CID: 4779049

Formula: C21H19N3O3S2

MW: 425.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	425.5
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	425.08678382
Monoisotopic Mass	425.08678382
Topological Polar Surface Area	128 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	643
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3617496-01	PU23