ML-354

CAT: 0931-T21901-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T21901-03Size:10 mg

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

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CAS Number

89159-60-4

Target

Protease-activated Receptor

Related Pathways

GPCR/G Protein

Purity

0.9944

Bioactivity

ML-354 (VU0099704) is a selective and potent PAR4 antagonist for the study of cardiovascular disease.

Smiles

CN1C(CO)=C(C2=CC=CC=C2)C3=C1C=CC([N+]([O-])=O)=C3

Molecular Formula

C16H14N2O3

Molecular Weight

282.29

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ML354

CAS Number	89159-60-4
PubChem CID	752812
IUPAC Name	(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
Molecular Formula	C16H14N2O3
Molecular Weight	282.29
XLogP	2.6
Topological Polar Surface Area	71
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	378

SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CO)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3

InChIKey

GNJUKVGDCUKDLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89159-60-4

CID: 752812

Formula: C16H14N2O3

MW: 282.29

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	282.29
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	282.10044231
Monoisotopic Mass	282.10044231
Topological Polar Surface Area	71 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	378
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
T6731-01	WYE-354
T3642-01	TBA-354
T81631-01	NV-354
TMPY-03439-01	UBASH3A Protein, Human, Recombinant (aa 354-623, His)
T35801-01	ML-262
T69048-01	ML-236C
T205377-01	ML-B01
T12075-01	ML-180
T8974-01	ML-211
T16101-01	ML-290

Alternative Products

Catalog	Name
C3058-10	ML-354
255868-01	ML 354
A1266-5	WYE-354
MBS3841113-01	TBA-354
TRC-W950000-500MG	WYE 354
463633	MGV-354

ML-354

Chemical Information

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