G862-0119 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide

G862-0119 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide
G862-0119 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0119
N-(2H-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G862-0119

Molecular Formula

C19H19N5O5S (C19 H19 N5 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(5-methoxy-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(5-methoxy-2-{[(4-methyl-4H-124-triazol-3-yl)sulfanyl]methyl}-4-oxo-14-dihydropyridin-1-yl)acetamide

SMILES

Cn1c(SCC(N(CC(Nc(cc2)cc3c2OCO3)=O)C=C2OC)=CC2=O)nnc1

InChI

InChI=1S/C19H19N5O5S/c1-23-10-20-22-19(23)30-9-13-6-14(25)17(27-2)7-24(13)8-18(26)21-12-3-4-15-16(5-12)29-11-28-15/h3-7,10H,8-9,11H2,1-2H3,(H,21,26)

InChI Key

ZJZSOKHECGOOBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08341443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.909

Distribution Coefficient, logD

0.909

Water Solubility, LogSw

-2.47

Polar Surface Area

89.104

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G862-0119 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G862-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0119?
Check Price and Availability of G862-0119, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G862-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0119
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G862-0119 available by request