P044-0345 Screening compound: 1-(4-chlorophenyl)-4-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-0345 Screening compound: 1-(4-chlorophenyl)-4-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-0345 Screening compound: 1-(4-chlorophenyl)-4-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-0345
1-(4-chlorophenyl)-4-{[3-(3-ethoxyphenyl)-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

P044-0345

Molecular Formula

C21H17ClN4O4 (C21 H17 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(-c2noc(CN(C=CN(c(cc3)ccc3Cl)C3=O)C3=O)n2)c1

InChI

InChI=1S/C21H17ClN4O4/c1-2-29-17-5-3-4-14(12-17)19-23-18(30-24-19)13-25-10-11-26(21(28)20(25)27)16-8-6-15(22)7-9-16/h3-12H,2,13H2,1H3

InChI Key

URVAZLKXIURWPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

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

3.166

Distribution Coefficient, logD

3.166

Water Solubility, LogSw

-3.47

Polar Surface Area

69.496

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P044-0345 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 P044-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P044-0345?
Check Price and Availability of P044-0345, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P044-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-0345
  • 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 P044-0345 available by request