Name: Name:Vercirnon
Brand: Angene
SKU: AG00FC17
Rating: 90 (10 reviews)

Vercirnon

CAS No.:

698394-73-9

Catalog Number:

AG00FC17

Molecular Formula:

C22H21ClN2O4S

Molecular Weight:

444.9311

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$147

- +

5mg

≥98%

1 week

United States

$486

- +

10mg

98%

1 week

United States

$890

- +

50mg

98%

1 week

United States

$2557

- +

100mg

98%

1 week

United States

$3557

- +

Product Description

Catalog Number:

AG00FC17

Chemical Name:

Vercirnon

CAS Number:

698394-73-9

Molecular Formula:

C22H21ClN2O4S

Molecular Weight:

444.9311

MDL Number:

MFCD28137610

IUPAC Name:

4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide

InChI:

InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3

InChI Key:

JRWROCIMSDXGOZ-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C

UNII:

MWI54OUA12

Properties

Complexity:

687

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

444.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

444.93g/mol

Monoisotopic Mass:

444.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.	Journal of medicinal chemistry 20160414
Characterization of CCX282-B, an orally bioavailable antagonist of the CCR9 chemokine receptor, for treatment of inflammatory bowel disease.	The Journal of pharmacology and experimental therapeutics 20101001

Properties