ML-109

CAT: 0931-T12073-02Size: 2 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T12073-02Size:2 mg

Selected

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

Quick Request Actions

CAS Number

1186649-91-1

Target

TSH Receptor

Related Pathways

GPCR/G Protein

Purity

0.9863

Bioactivity

ML-109 is a potent agonist of thyroid stimulating hormone receptor (TSHR) (EC50 of 40 nM)

Smiles

COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2cccc(O)c2C(=O)N1Cc1ccccc1

Molecular Formula

C31H29N3O5

Molecular Weight

523.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide

N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide is a member of quinazolines.

CAS Number	1186649-91-1
PubChem CID	25246343
IUPAC Name	N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide
Molecular Formula	C31H29N3O5
Molecular Weight	523.6
XLogP	5.1
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	812

SMILES

CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3NC4=C(C(=CC=C4)O)C(=O)N3CC5=CC=CC=C5)OC

InChI

InChI=1S/C31H29N3O5/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)

InChIKey

JRVXFGNCHKHBPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1186649-91-1

CID: 25246343

Formula: C31H29N3O5

MW: 523.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	523.6
XLogP3	5.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	523.21072103
Monoisotopic Mass	523.21072103
Topological Polar Surface Area	100 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	812
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T13902-01	SSF-109
T80643-01	BEBT-109
T12905-01	SI-109
T27696-01	JTK-109
T1960-01	YL-109
T25449	GF 109
T86360-01	EGFR-IN-109
T26033-01	RAC 109
T27747-01	KRP-109
T1842-01	XMD17-109

Alternative Products

Catalog	Name
BA5827-5.1	ML-109
A18922-10	ML-109 10mg
A18922-5	ML-109 5mg
A18922-1	ML-109 1mg
A18922-25	ML-109 25mg
A18922-2	ML-109 2mg
A18922-100	ML-109 100mg
A18922-50	ML-109 50mg
BNUM0355-50	CD20 (109-3C2), 1mg/mL
A18922-10mM-D	ML-109 10mM * 1mL in DMSO

ML-109

Chemical Information

Related Products

Alternative Products

Popular Products