C697-0110 Screening compound: N-(3-methoxyphenyl)-2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)acetamide

C697-0110 Screening compound: N-(3-methoxyphenyl)-2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)acetamide
C697-0110 Screening compound: N-(3-methoxyphenyl)-2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0110
N-(3-methoxyphenyl)-2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)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

C697-0110

Molecular Formula

C20H22N4O6S (C20 H22 N4 O6 S)

Compound Name

N-(3-methoxyphenyl)-2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)acetamide

IUPAC name

N-(3-methoxyphenyl)-2-(N-methyl14-dimethyl-23-dioxo-1234-tetrahydroquinoxaline-6-sulfonamido)acetamide

SMILES

CN(CC(Nc1cc(OC)ccc1)=O)S(c(cc1)cc(N(C)C2=O)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C20H22N4O6S/c1-22(12-18(25)21-13-6-5-7-14(10-13)30-4)31(28,29)15-8-9-16-17(11-15)24(3)20(27)19(26)23(16)2/h5-11H,12H2,1-4H3,(H,21,25)

InChI Key

PJSHENJLQKUMPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.105

Distribution Coefficient, logD

1.105

Water Solubility, LogSw

-2.60

Polar Surface Area

93.855

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C697-0110 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C697-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0110?
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What is the minimum amount of C697-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0110
  • 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 C697-0110 available by request