8017-3877 Screening compound: 4-{[4-(5-oxotetrahydro-1H-pyrrol-3-yl)phenyl]sulfonyl}-3,4-dihydro-2(1H)-quinoxalinone

8017-3877 Screening compound: 4-{[4-(5-oxotetrahydro-1H-pyrrol-3-yl)phenyl]sulfonyl}-3,4-dihydro-2(1H)-quinoxalinone
8017-3877 Screening compound: 4-{[4-(5-oxotetrahydro-1H-pyrrol-3-yl)phenyl]sulfonyl}-3,4-dihydro-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3877
4-{[4-(5-oxotetrahydro-1H-pyrrol-3-yl)phenyl]sulfonyl}-3,4-dihydro-2(1H)-quinoxalinone

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

8017-3877

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

4-{[4-(5-oxotetrahydro-1H-pyrrol-3-yl)phenyl]sulfonyl}-3,4-dihydro-2(1H)-quinoxalinone

IUPAC name

4-[4-(5-oxopyrrolidin-3-yl)benzenesulfonyl]-1234-tetrahydroquinoxalin-2-one

SMILES

O=C(C1)NCC1c(cc1)ccc1S(N(C1)c(cccc2)c2NC1=O)(=O)=O

InChI

InChI=1S/C18H17N3O4S/c22-17-9-13(10-19-17)12-5-7-14(8-6-12)26(24,25)21-11-18(23)20-15-3-1-2-4-16(15)21/h1-8,13H,9-11H2,(H,19,22)(H,20,23)/t13-/m0/s1

InChI Key

AHJRZSHWYWEKDG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06016421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.381

Distribution Coefficient, logD

1.381

Water Solubility, LogSw

-2.51

Polar Surface Area

81.466

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8017-3877 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-3877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3877?
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What is the minimum amount of 8017-3877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3877
  • 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 8017-3877 available by request