G313-0686 Screening compound: N-(3,5-dimethoxyphenyl)-2-[3-(3,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide

G313-0686 Screening compound: N-(3,5-dimethoxyphenyl)-2-[3-(3,4-dimethylbenzenesulfonyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]acetamide
G313-0686 Screening compound: N-(3,5-dimethoxyphenyl)-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 G313-0686
N-(3,5-dimethoxyphenyl)-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

G313-0686

Molecular Formula

C27H27N3O6S (C27 H27 N3 O6 S)

Compound Name

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

IUPAC name

N-(35-dimethoxyphenyl)-2-[3-(34-dimethylbenzenesulfonyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]acetamide

SMILES

Cc(cc1)c(C)cc1S(C1=CN(CC(Nc2cc(OC)cc(OC)c2)=O)c(nc(C)cc2)c2C1=O)(=O)=O

InChI

InChI=1S/C27H27N3O6S/c1-16-6-8-22(10-17(16)2)37(33,34)24-14-30(27-23(26(24)32)9-7-18(3)28-27)15-25(31)29-19-11-20(35-4)13-21(12-19)36-5/h6-14H,15H2,1-5H3,(H,29,31)

InChI Key

YMGCRPJMGKTCOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.148

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-4.94

Polar Surface Area

93.005

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G313-0686 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G313-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G313-0686?
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What is the minimum amount of G313-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G313-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G313-0686
  • 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 G313-0686 available by request