G313-0022 Screening compound: 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide

G313-0022 Screening compound: 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
G313-0022 Screening compound: 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G313-0022
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,4-difluorophenyl)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

G313-0022

Molecular Formula

C23H17F2N3O4S (C23 H17 F2 N3 O4 S)

Compound Name

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

IUPAC name

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]-N-(24-difluorophenyl)acetamide

SMILES

Cc(cc1)nc(N(CC(Nc(ccc(F)c2)c2F)=O)C=C2S(c3ccccc3)(=O)=O)c1C2=O

InChI

InChI=1S/C23H17F2N3O4S/c1-14-7-9-17-22(30)20(33(31,32)16-5-3-2-4-6-16)12-28(23(17)26-14)13-21(29)27-19-10-8-15(24)11-18(19)25/h2-12H,13H2,1H3,(H,27,29)

InChI Key

IBSZYOWOISHULC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-3.94

Polar Surface Area

77.220

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G313-0022 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G313-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0022?
Check Price and Availability of G313-0022, 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 G313-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0022
  • 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 G313-0022 available by request