P044-0046 Screening compound: 1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-0046 Screening compound: 1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-0046 Screening compound: 1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-0046
1-{[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenyl-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

P044-0046

Molecular Formula

C19H12ClFN4O3 (C19 H12 ClFN4 O3)

Compound Name

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

IUPAC name

1-{[3-(3-chloro-4-fluorophenyl)-124-oxadiazol-5-yl]methyl}-4-phenyl-1234-tetrahydropyrazine-23-dione

SMILES

O=C1N(Cc2nc(-c(cc3)cc(Cl)c3F)no2)C=CN(c2ccccc2)C1=O

InChI

InChI=1S/C19H12ClFN4O3/c20-14-10-12(6-7-15(14)21)17-22-16(28-23-17)11-24-8-9-25(19(27)18(24)26)13-4-2-1-3-5-13/h1-10H,11H2

InChI Key

DTIDNLPRQQFDFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.78

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

2.540

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-3.35

Polar Surface Area

62.372

Acid Dissociation Constant (pKa)

32.29

Base Dissociation Constant (pKb)

-9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

P044-0046 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P044-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P044-0046?
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What is the minimum amount of P044-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-0046
  • 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 P044-0046 available by request