G313-0581 Screening compound: 2-[3-[(4-ethylphenyl)sulfonyl]-7-methyl-4-oxo[1,8]naphthyridin-1(4H)-yl]-N-propylacetamide

G313-0581 Screening compound: 2-[3-[(4-ethylphenyl)sulfonyl]-7-methyl-4-oxo[1,8]naphthyridin-1(4H)-yl]-N-propylacetamide
G313-0581 Screening compound: 2-[3-[(4-ethylphenyl)sulfonyl]-7-methyl-4-oxo[1,8]naphthyridin-1(4H)-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G313-0581
2-[3-[(4-ethylphenyl)sulfonyl]-7-methyl-4-oxo[1,8]naphthyridin-1(4H)-yl]-N-propylacetamide

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

G313-0581

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

2-[3-[(4-ethylphenyl)sulfonyl]-7-methyl-4-oxo[1,8]naphthyridin-1(4H)-yl]-N-propylacetamide

IUPAC name

2-[3-(4-ethylbenzenesulfonyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]-N-propylacetamide

SMILES

CCCNC(CN(C=C1S(c2ccc(CC)cc2)(=O)=O)c(nc(C)cc2)c2C1=O)=O

InChI

InChI=1S/C22H25N3O4S/c1-4-12-23-20(26)14-25-13-19(21(27)18-11-6-15(3)24-22(18)25)30(28,29)17-9-7-16(5-2)8-10-17/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26)

InChI Key

KKPIRKYXSCKERC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.695

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-3.82

Polar Surface Area

79.353

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

G313-0581 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G313-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0581?
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What is the minimum amount of G313-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0581
  • 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 G313-0581 available by request