P044-1189 Screening compound: 1-(2-ethoxyphenyl)-4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-1189 Screening compound: 1-(2-ethoxyphenyl)-4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-1189 Screening compound: 1-(2-ethoxyphenyl)-4-{[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-1189
1-(2-ethoxyphenyl)-4-{[3-(3-fluorophenyl)-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

P044-1189

Molecular Formula

C21H17FN4O4 (C21 H17 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1N(C=CN(Cc1nc(-c2cccc(F)c2)no1)C1=O)C1=O

InChI

InChI=1S/C21H17FN4O4/c1-2-29-17-9-4-3-8-16(17)26-11-10-25(20(27)21(26)28)13-18-23-19(24-30-18)14-6-5-7-15(22)12-14/h3-12H,2,13H2,1H3

InChI Key

ICYJYEQNSJEKQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-3.03

Polar Surface Area

69.281

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-9.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P044-1189 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 P044-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P044-1189?
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What is the minimum amount of P044-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-1189
  • 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 P044-1189 available by request