G313-0045 Screening compound: 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

G313-0045 Screening compound: 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
G313-0045 Screening compound: 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G313-0045
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[3-(methylsulfanyl)phenyl]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

G313-0045

Molecular Formula

C24H21N3O4S2 (C24 H21 N3 O4 S2)

Compound Name

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

Cc(cc1)nc(N(CC(Nc2cc(SC)ccc2)=O)C=C2S(c3ccccc3)(=O)=O)c1C2=O

InChI

InChI=1S/C24H21N3O4S2/c1-16-11-12-20-23(29)21(33(30,31)19-9-4-3-5-10-19)14-27(24(20)25-16)15-22(28)26-17-7-6-8-18(13-17)32-2/h3-14H,15H2,1-2H3,(H,26,28)

InChI Key

AQTGGJZRJVNZQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.30

Polar Surface Area

77.918

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G313-0045 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G313-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0045?
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What is the minimum amount of G313-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0045
  • 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 G313-0045 available by request