P045-0561 Screening compound: 1-[(4-chlorophenyl)methyl]-4-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

P045-0561 Screening compound: 1-[(4-chlorophenyl)methyl]-4-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,2,3,4-tetrahydropyrazine-2,3-dione
P045-0561 Screening compound: 1-[(4-chlorophenyl)methyl]-4-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P045-0561
1-[(4-chlorophenyl)methyl]-4-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,2,3,4-tetrahydropyrazine-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

P045-0561

Molecular Formula

C22H19ClN4O3 (C22 H19 ClN4 O3)

Compound Name

1-[(4-chlorophenyl)methyl]-4-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

IUPAC name

1-[(4-chlorophenyl)methyl]-4-{2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]ethyl}-1234-tetrahydropyrazine-23-dione

SMILES

Cc(cc1)ccc1-c1noc(CCN(C=CN(Cc(cc2)ccc2Cl)C2=O)C2=O)n1

InChI

InChI=1S/C22H19ClN4O3/c1-15-2-6-17(7-3-15)20-24-19(30-25-20)10-11-26-12-13-27(22(29)21(26)28)14-16-4-8-18(23)9-5-16/h2-9,12-13H,10-11,14H2,1H3

InChI Key

IIWKYZZXVDWJBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.85

Polar Surface Area

62.796

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P045-0561 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with P045-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P045-0561?
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What is the minimum amount of P045-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P045-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P045-0561
  • 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 P045-0561 available by request