P044-1045 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2,6-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione

P044-1045 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2,6-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione
P044-1045 Screening compound: 1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2,6-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P044-1045
1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2,6-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

P044-1045

Molecular Formula

C21H17ClN4O3 (C21 H17 ClN4 O3)

Compound Name

1-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2,6-dimethylphenyl)-1,2,3,4-tetrahydropyrazine-2,3-dione

IUPAC name

1-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-4-(26-dimethylphenyl)-1234-tetrahydropyrazine-23-dione

SMILES

Cc1cccc(C)c1N(C=CN(Cc1nc(-c(cc2)ccc2Cl)no1)C1=O)C1=O

InChI

InChI=1S/C21H17ClN4O3/c1-13-4-3-5-14(2)18(13)26-11-10-25(20(27)21(26)28)12-17-23-19(24-29-17)15-6-8-16(22)9-7-15/h3-11H,12H2,1-2H3

InChI Key

YKYXHYLVFAVBBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.84

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

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.84

Polar Surface Area

61.770

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-12.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P044-1045 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P044-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P044-1045?
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What is the minimum amount of P044-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P044-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P044-1045
  • 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 P044-1045 available by request