P044-0821 Screening compound: 1-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3,5-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-0821 Screening compound: 1-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3,5-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-0821 Screening compound: 1-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3,5-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-0821
1-{[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(3,5-dimethylphenyl)-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

P044-0821

Molecular Formula

C23H22N4O5 (C23 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(C=CN(Cc2nc(-c(cccc3OC)c3OC)no2)C2=O)C2=O)cc(C)c1

InChI

InChI=1S/C23H22N4O5/c1-14-10-15(2)12-16(11-14)27-9-8-26(22(28)23(27)29)13-19-24-21(25-32-19)17-6-5-7-18(30-3)20(17)31-4/h5-12H,13H2,1-4H3

InChI Key

KNJLXBWHMVIUAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.19

Polar Surface Area

77.720

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

P044-0821 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P044-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P044-0821?
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What is the minimum amount of P044-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-0821
  • 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 P044-0821 available by request