P044-0803 Screening compound: 1-(3,5-dimethylphenyl)-4-{[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-0803 Screening compound: 1-(3,5-dimethylphenyl)-4-{[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-0803 Screening compound: 1-(3,5-dimethylphenyl)-4-{[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-0803
1-(3,5-dimethylphenyl)-4-{[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-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

P044-0803

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

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

IUPAC name

1-(35-dimethylphenyl)-4-{[3-(24-dimethylphenyl)-124-oxadiazol-5-yl]methyl}-1234-tetrahydropyrazine-23-dione

SMILES

Cc(cc1)cc(C)c1-c1noc(CN(C=CN(c2cc(C)cc(C)c2)C2=O)C2=O)n1

InChI

InChI=1S/C23H22N4O3/c1-14-5-6-19(17(4)10-14)21-24-20(30-25-21)13-26-7-8-27(23(29)22(26)28)18-11-15(2)9-16(3)12-18/h5-12H,13H2,1-4H3

InChI Key

UNPHGJLTFHJTOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-3.85

Polar Surface Area

62.372

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

P044-0803 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P044-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P044-0803?
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What is the minimum amount of P044-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-0803
  • 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 P044-0803 available by request