Name: Name:5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide
Brand: Angene
SKU: AG003A2X
Rating: 90 (10 reviews)

5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide

CAS No.:

1207253-08-4

Catalog Number:

AG003A2X

Molecular Formula:

C24H20ClN5O3

Molecular Weight:

461.9003

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$97

- +

5mg

≥98%

1 week

United States

$239

- +

10mg

≥98%

1 week

United States

$379

- +

25mg

≥98%

1 week

United States

$762

- +

50mg

99%

1 week

United States

$1390

- +

100mg

99%

1 week

United States

$1707

- +

Product Description

Catalog Number:

AG003A2X

Chemical Name:

5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide

CAS Number:

1207253-08-4

Molecular Formula:

C24H20ClN5O3

Molecular Weight:

461.9003

MDL Number:

MFCD28502027

IUPAC Name:

5-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide

InChI:

InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)

InChI Key:

CKTWQGHVNRYNCM-UHFFFAOYSA-N

SMILES:

COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC

UNII:

O812716S9E

Properties

Complexity:

629

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

461.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

461.906g/mol

Monoisotopic Mass:

461.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Orexin 2 Receptor Antagonism is Sufficient to Promote NREM and REM Sleep from Mouse to Man.	Scientific reports 20160101
Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia.	Bioorganic & medicinal chemistry letters 20141015
Discovery of 5''-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide (MK-1064): a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia.	ChemMedChem 20140201

Properties