C697-0145 Screening compound: 2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)-N-[(4-methylphenyl)methyl]acetamide

C697-0145 Screening compound: 2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)-N-[(4-methylphenyl)methyl]acetamide
C697-0145 Screening compound: 2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0145
2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)-N-[(4-methylphenyl)methyl]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

C697-0145

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

2-(N-methyl1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-(N-methyl14-dimethyl-23-dioxo-1234-tetrahydroquinoxaline-6-sulfonamido)-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CN(C)S(c(cc2)cc(N(C)C3=O)c2N(C)C3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C21H24N4O5S/c1-14-5-7-15(8-6-14)12-22-19(26)13-23(2)31(29,30)16-9-10-17-18(11-16)25(4)21(28)20(27)24(17)3/h5-11H,12-13H2,1-4H3,(H,22,26)

InChI Key

WMPBWVBEROLKDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.040

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-2.57

Polar Surface Area

87.633

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C697-0145 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C697-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0145?
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What is the minimum amount of C697-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0145
  • 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 C697-0145 available by request