P044-0970 Screening compound: 1-(2,5-dimethylphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-0970 Screening compound: 1-(2,5-dimethylphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-0970 Screening compound: 1-(2,5-dimethylphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-0970
1-(2,5-dimethylphenyl)-4-{[3-(4-methylphenyl)-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

P044-0970

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

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

IUPAC name

1-(25-dimethylphenyl)-4-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}-1234-tetrahydropyrazine-23-dione

SMILES

Cc(cc1)ccc1-c1noc(CN(C=CN(c2c(C)ccc(C)c2)C2=O)C2=O)n1

InChI

InChI=1S/C22H20N4O3/c1-14-5-8-17(9-6-14)20-23-19(29-24-20)13-25-10-11-26(22(28)21(25)27)18-12-15(2)4-7-16(18)3/h4-12H,13H2,1-3H3

InChI Key

XPLVQQSMMJRUNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

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

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.65

Polar Surface Area

62.071

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-10.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P044-0970 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 P044-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P044-0970?
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What is the minimum amount of P044-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-0970
  • 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 P044-0970 available by request