Name: Name:4-[4-(1-Methanesulfonylcyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole
Brand: Angene
SKU: AG000KDB
Rating: 90 (10 reviews)

4-[4-(1-Methanesulfonylcyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole

CAS No.:

1233339-22-4

Catalog Number:

AG000KDB

Molecular Formula:

C21H24N4O3S

Molecular Weight:

412.5053

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$105

- +

5mg

99%

1 week

United States

$140

- +

10mg

99%

1 week

United States

$182

- +

50mg

99%

1 week

United States

$460

- +

100mg

99%

1 week

United States

$682

- +

Product Description

Catalog Number:

AG000KDB

Chemical Name:

4-[4-(1-Methanesulfonylcyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole

CAS Number:

1233339-22-4

Molecular Formula:

C21H24N4O3S

Molecular Weight:

412.5053

MDL Number:

MFCD25976730

IUPAC Name:

(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine

InChI:

InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1

InChI Key:

SCGCBAAYLFTIJU-CQSZACIVSA-N

SMILES:

C[C@@H]1COCCN1c1cc(nc(n1)c1cccc2c1cc[nH]2)C1(CC1)S(=O)(=O)C

Properties

Complexity:

707

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

412.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

412.508g/mol

Monoisotopic Mass:

412.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity.	Journal of medicinal chemistry 20130314

Properties