G313-0654 Screening compound: methyl 2-{2-[3-(2,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate

G313-0654 Screening compound: methyl 2-{2-[3-(2,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate
G313-0654 Screening compound: methyl 2-{2-[3-(2,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G313-0654
methyl 2-{2-[3-(2,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate

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

G313-0654

Molecular Formula

C27H25N3O6S (C27 H25 N3 O6 S)

Compound Name

methyl 2-{2-[3-(2,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[3-(24-dimethylbenzenesulfonyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]acetamido}benzoate

SMILES

Cc(cc1)cc(C)c1S(C1=CN(CC(Nc(cccc2)c2C(OC)=O)=O)c(nc(C)cc2)c2C1=O)(=O)=O

InChI

InChI=1S/C27H25N3O6S/c1-16-9-12-22(17(2)13-16)37(34,35)23-14-30(26-20(25(23)32)11-10-18(3)28-26)15-24(31)29-21-8-6-5-7-19(21)27(33)36-4/h5-14H,15H2,1-4H3,(H,29,31)

InChI Key

LJXGDAUTGDLQEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.667

Water Solubility, LogSw

-4.44

Polar Surface Area

98.394

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

G313-0654 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 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 G313-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0654?
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What is the minimum amount of G313-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0654
  • 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 G313-0654 available by request