BAY-438

CAT: 0931-T71037-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71037-01Size:25 mg

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

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CAS Number

1295505-76-8

Target

Others

Related Pathways

Others

Bioactivity

BAY-438 is an allosteric MEK inhibitor with long half-lives, high bioavailabilities, low brain penetration potential and high efficacy in a K-Ras-mutated A549 xenograft model.

Smiles

N(C1=C(C(N)=O)C(OC2=CC(CNS(N)(=O)=O)=CC=C2)=CC(F)=C1F)C3=C(F)C=C(I)C=C3

Molecular Formula

C20H16F3IN4O4S

Molecular Weight

592.33

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-{3-[(sulfamoylamino)methyl]phenoxy}benzamide

CAS Number	1295505-76-8
PubChem CID	51347355
IUPAC Name	3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[3-[(sulfamoylamino)methyl]phenoxy]benzamide
Molecular Formula	C20H16F3IN4O4S
Molecular Weight	592.3
XLogP	3.6
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	777

SMILES

C1=CC(=CC(=C1)OC2=CC(=C(C(=C2C(=O)N)NC3=C(C=C(C=C3)I)F)F)F)CNS(=O)(=O)N

InChI

InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)

InChIKey

KQYTZJXGFPXBER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1295505-76-8

CID: 51347355

Formula: C20H16F3IN4O4S

MW: 592.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	592.3
XLogP3	3.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	591.98891
Monoisotopic Mass	591.98891
Topological Polar Surface Area	145 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	777
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

Related Products

Catalog	Name
T23696-01	AL-438
T9901A-887-01	NGM-438
T16068-01	MF-438
T27555-01	HS-438
T70133-01	BAY-846
T69689-01	BAY-693
T202655-01	BAY-9835
T201377-01	BAY 593
TYD-02414-01	(±) -BAY-7081
T88844-01	BAY 2925976

Alternative Products

Catalog	Name
MBS5813578	BAY-438
HY-P991193-01	NGM-438
WLB60587-01	MF-438
MBS3601071-01	TAK-438
GTR19197521-01	HS-438
HY-114154	AL-438
FT102406-01	TAK 438

BAY-438

Chemical Information

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