P044-0686 Screening compound: 1-[(4-chlorophenyl)methyl]-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-0686 Screening compound: 1-[(4-chlorophenyl)methyl]-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-0686 Screening compound: 1-[(4-chlorophenyl)methyl]-4-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-0686
1-[(4-chlorophenyl)methyl]-4-{[3-(3-methoxyphenyl)-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

P044-0686

Molecular Formula

C21H17ClN4O4 (C21 H17 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c2noc(CN(C=CN(Cc(cc3)ccc3Cl)C3=O)C3=O)n2)c1

InChI

InChI=1S/C21H17ClN4O4/c1-29-17-4-2-3-15(11-17)19-23-18(30-24-19)13-26-10-9-25(20(27)21(26)28)12-14-5-7-16(22)8-6-14/h2-11H,12-13H2,1H3

InChI Key

SPJVRNWHCZHYSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560524

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

2.704

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-3.47

Polar Surface Area

70.362

Acid Dissociation Constant (pKa)

29.80

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P044-0686 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 P044-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of P044-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-0686
  • 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 P044-0686 available by request