L059-0577 Screening compound: 4-{[4-allyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

L059-0577 Screening compound: 4-{[4-allyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide
L059-0577 Screening compound: 4-{[4-allyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L059-0577
4-{[4-allyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

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

L059-0577

Molecular Formula

C23H23N3O5S (C23 H23 N3 O5 S)

Compound Name

4-{[4-allyl-2,3-dioxo-3,4-dihydro-1(2H)-quinoxalinyl]methyl}-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)benzamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-4-{[23-dioxo-4-(prop-2-en-1-yl)-1234-tetrahydroquinoxalin-1-yl]methyl}benzamide

SMILES

C=CCN(c(cccc1)c1N(Cc(cc1)ccc1C(NC(CC1)CS1(=O)=O)=O)C1=O)C1=O

InChI

InChI=1S/C23H23N3O5S/c1-2-12-25-19-5-3-4-6-20(19)26(23(29)22(25)28)14-16-7-9-17(10-8-16)21(27)24-18-11-13-32(30,31)15-18/h2-10,18H,1,11-15H2,(H,24,27)/t18-/m1/s1

InChI Key

DJOGKLOGJSLXHX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27227657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.263

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-2.34

Polar Surface Area

83.349

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

L059-0577 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L059-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L059-0577?
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What is the minimum amount of L059-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L059-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L059-0577
  • 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 L059-0577 available by request