C697-0089 Screening compound: 1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(2-methoxyphenyl)-2-pyrrolidinecarboxamide

C697-0089 Screening compound: 1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(2-methoxyphenyl)-2-pyrrolidinecarboxamide
C697-0089 Screening compound: 1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(2-methoxyphenyl)-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C697-0089
1-[(1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]-N-(2-methoxyphenyl)-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

C697-0089

Molecular Formula

C22H24N4O6S (C22 H24 N4 O6 S)

Compound Name

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

IUPAC name

1-[(14-dimethyl-23-dioxo-1234-tetrahydroquinoxalin-6-yl)sulfonyl]-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide

SMILES

CN(c(ccc(S(N(CCC1)C1C(Nc(cccc1)c1OC)=O)(=O)=O)c1)c1N(C)C1=O)C1=O

InChI

InChI=1S/C22H24N4O6S/c1-24-16-11-10-14(13-18(16)25(2)22(29)21(24)28)33(30,31)26-12-6-8-17(26)20(27)23-15-7-4-5-9-19(15)32-3/h4-5,7,9-11,13,17H,6,8,12H2,1-3H3,(H,23,27)/t17-/m0/s1

InChI Key

SSFDJVFJZUNPTO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14783846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.052

Distribution Coefficient, logD

1.051

Water Solubility, LogSw

-2.55

Polar Surface Area

93.169

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

C697-0089 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C697-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C697-0089?
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What is the minimum amount of C697-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C697-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C697-0089
  • 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 C697-0089 available by request