G313-0697 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[3-(3,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide

G313-0697 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[3-(3,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide
G313-0697 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[3-(3,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G313-0697
N-(2H-1,3-benzodioxol-5-yl)-2-[3-(3,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]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

G313-0697

Molecular Formula

C26H23N3O6S (C26 H23 N3 O6 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[3-(3,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[3-(34-dimethylbenzenesulfonyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]acetamide

SMILES

Cc(cc1)c(C)cc1S(C1=CN(CC(Nc(cc2)cc3c2OCO3)=O)c(nc(C)cc2)c2C1=O)(=O)=O

InChI

InChI=1S/C26H23N3O6S/c1-15-4-7-19(10-16(15)2)36(32,33)23-12-29(26-20(25(23)31)8-5-17(3)27-26)13-24(30)28-18-6-9-21-22(11-18)35-14-34-21/h4-12H,13-14H2,1-3H3,(H,28,30)

InChI Key

LLARMOFTACKIQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.54

Polar Surface Area

95.033

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G313-0697 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G313-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0697?
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What is the minimum amount of G313-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0697
  • 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 G313-0697 available by request