PD 334581

CAT: 0607-B5727-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-B5727-50Size:50 mg

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Description

MEK1 inhibitor

CAS Number

548756-68-9

Product Name Alternative

(E)-2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-(5-((2-morpholinoethyl)imino)-4,5-dihydro-1,3,4-oxadiazol-2-yl)aniline

Field of Research

MAPK Signaling MEK1 2

Form

Beige solid

Solubility

<54.53mg/ml in DMSO; <5.45mg/ml in ethanol

Smiles

FC1=C(F)C(NC2=C(F)C=C(I)C=C2)=C(C(O/3)=NNC3=N/CCN4CCOCC4)C=C1

Molecular Formula

C20H19F3IN5O2

Molecular Weight

545.3

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

CAS Number	548756-68-9
PubChem CID	5287529
IUPAC Name	5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
Molecular Formula	C20H19F3IN5O2
Molecular Weight	545.3
XLogP	3.9
Topological Polar Surface Area	75.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	565

SMILES

C1COCCN1CCNC2=NN=C(O2)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F

InChI

InChI=1S/C20H19F3IN5O2/c21-14-3-2-13(18(17(14)23)26-16-4-1-12(24)11-15(16)22)19-27-28-20(31-19)25-5-6-29-7-9-30-10-8-29/h1-4,11,26H,5-10H2,(H,25,28)

InChIKey

LZZYEMSEMRUPIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 548756-68-9

CID: 5287529

Formula: C20H19F3IN5O2

MW: 545.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	545.3
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	545.05356
Monoisotopic Mass	545.05356
Topological Polar Surface Area	75.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	565
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

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B6172-25	PD-1/PD-L1 inhibitor 1
B6191-5	PD-1/PD-L1 Inhibitor 3
BA6896-25	PD-118057
B7203-50	PD 118057
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B7424-5.1	PD 173212

Alternative Products

Catalog	Name
4824/10	PD 334581
HY-107619-01	PD-334581
A16044-25	PD 334581 25mg
A16044-5	PD 334581 5mg
A16044-50	PD 334581 50mg
A16044-10	PD 334581 10mg

PD 334581

Chemical Information

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