L059-0544 Screening compound: 1-(prop-2-en-1-yl)-4-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

L059-0544 Screening compound: 1-(prop-2-en-1-yl)-4-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione
L059-0544 Screening compound: 1-(prop-2-en-1-yl)-4-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L059-0544
1-(prop-2-en-1-yl)-4-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

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

L059-0544

Molecular Formula

C27H26N6O3 (C27 H26 N6 O3)

Compound Name

1-(prop-2-en-1-yl)-4-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

1-(prop-2-en-1-yl)-4-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1234-tetrahydroquinoxaline-23-dione

SMILES

C=CCN(c(cccc1)c1N(Cc(cc1)ccc1C(N(CC1)CCN1c1ncccn1)=O)C1=O)C1=O

InChI

InChI=1S/C27H26N6O3/c1-2-14-32-22-6-3-4-7-23(22)33(26(36)25(32)35)19-20-8-10-21(11-9-20)24(34)30-15-17-31(18-16-30)27-28-12-5-13-29-27/h2-13H,1,14-19H2

InChI Key

YDVHFLUOGNRISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-3.02

Polar Surface Area

69.044

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L059-0544 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L059-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L059-0544?
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What is the minimum amount of L059-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L059-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L059-0544
  • 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 L059-0544 available by request