PD184161

CAT: 1410-M27439-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:1410-M27439-02Size:2 mg

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

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Description

PD184161 is a novel, orally-active MEK inhibitor.

CAS Number

212631-67-9

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

557.56

Molecular Formula

C17H13BrClF2IN2O2

Notes

Research use only, not for human use.

Receptor

NO Synthase

Chemical Information

PD-184161

CAS Number	212631-67-9
PubChem CID	9937619
IUPAC Name	5-bromo-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
Molecular Formula	C17H13BrClF2IN2O2
Molecular Weight	557.6
XLogP	6.3
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	505

SMILES

C1CC1CONC(=O)C2=CC(=C(C(=C2NC3=C(C=C(C=C3)I)Cl)F)F)Br

InChI

InChI=1S/C17H13BrClF2IN2O2/c18-11-6-10(17(25)24-26-7-8-1-2-8)16(15(21)14(11)20)23-13-4-3-9(22)5-12(13)19/h3-6,8,23H,1-2,7H2,(H,24,25)

InChIKey

VJNZMSLGVUSPCF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 212631-67-9

CID: 9937619

Formula: C17H13BrClF2IN2O2

MW: 557.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	557.6
XLogP3	6.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	555.88617
Monoisotopic Mass	555.88617
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	505
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