C697-0078 Screening compound: 1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(3-methylphenyl)-2-pyrrolidinecarboxamide

C697-0078 Screening compound: 1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(3-methylphenyl)-2-pyrrolidinecarboxamide
C697-0078 Screening compound: 1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(3-methylphenyl)-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0078
1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(3-methylphenyl)-2-pyrrolidinecarboxamide

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

C697-0078

Molecular Formula

C22H24N4O5S (C22 H24 N4 O5 S)

Compound Name

1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(3-methylphenyl)-2-pyrrolidinecarboxamide

IUPAC name

n/a

SMILES

Cc1cccc(NC(C(CCC2)N2S(c(cc2)cc(N(C)C3=O)c2N(C)C3=O)(=O)=O)=O)c1

InChI

InChI=1S/C22H24N4O5S/c1-14-6-4-7-15(12-14)23-20(27)18-8-5-11-26(18)32(30,31)16-9-10-17-19(13-16)25(3)22(29)21(28)24(17)2/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,23,27)/t18-/m0/s1

InChI Key

RHCCIIQZZIQUQZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14783844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.361

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-2.51

Polar Surface Area

86.237

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

C697-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Pool
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C697-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0078?
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What is the minimum amount of C697-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0078
  • 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 C697-0078 available by request