S29434

CAT: 1410-M20697-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M20697-01Size:5 mg

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

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Description

S29434 (NMDPEF) is a potent competitiveinhibitor of quinone reductase 2 (QR2; IC50:5-16nM) .

CAS Number

874484-20-5

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

374.39

Molecular Formula

C21H18N4O3

Notes

Research use only, not for human use.

Receptor

Quinone reductase 2 (QR2)

Chemical Information

Nmdpef

CAS Number	874484-20-5
PubChem CID	46861897
IUPAC Name	N-[2-(5-methoxy-1,6,11-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10(15),11,13-heptaen-8-yl)ethyl]furan-2-carboxamide
Molecular Formula	C21H18N4O3
Molecular Weight	374.4
XLogP	2.3
Topological Polar Surface Area	82.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	576

SMILES

COC1=NC2=C(C=C1)N3CC4=C(C3=C2CCNC(=O)C5=CC=CO5)N=CC=C4

InChI

InChI=1S/C21H18N4O3/c1-27-17-7-6-15-19(24-17)14(8-10-23-21(26)16-5-3-11-28-16)20-18-13(12-25(15)20)4-2-9-22-18/h2-7,9,11H,8,10,12H2,1H3,(H,23,26)

InChIKey

XJIUMLVQBQKCJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 874484-20-5

CID: 46861897

Formula: C21H18N4O3

MW: 374.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.4
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	374.13789045
Monoisotopic Mass	374.13789045
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	576
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