G313-0486 Screening compound: 2-[3-(4-ethoxybenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide

G313-0486 Screening compound: 2-[3-(4-ethoxybenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide
G313-0486 Screening compound: 2-[3-(4-ethoxybenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G313-0486
2-[3-(4-ethoxybenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)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

G313-0486

Molecular Formula

C25H22FN3O5S (C25 H22 FN3 O5 S)

Compound Name

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

IUPAC name

2-[3-(4-ethoxybenzenesulfonyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide

SMILES

CCOc(cc1)ccc1S(C1=CN(CC(Nc(cccc2)c2F)=O)c(nc(C)cc2)c2C1=O)(=O)=O

InChI

InChI=1S/C25H22FN3O5S/c1-3-34-17-9-11-18(12-10-17)35(32,33)22-14-29(25-19(24(22)31)13-8-16(2)27-25)15-23(30)28-21-7-5-4-6-20(21)26/h4-14H,3,15H2,1-2H3,(H,28,30)

InChI Key

SDDLWTAWIWKDET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.20

Polar Surface Area

84.344

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G313-0486 in Drug Discovery

Included in Screening Libraries

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 G313-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0486?
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What is the minimum amount of G313-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0486
  • 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 G313-0486 available by request