E842-0144 Screening compound: 2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methylphenyl)acetamide

E842-0144 Screening compound: 2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methylphenyl)acetamide
E842-0144 Screening compound: 2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E842-0144
2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methylphenyl)acetamide

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

E842-0144

Molecular Formula

C26H21N5O4 (C26 H21 N5 O4)

Compound Name

2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-(3-methylphenyl)acetamide

IUPAC name

2-{24-dioxo-3-[(3-phenyl-124-oxadiazol-5-yl)methyl]-1234-tetrahydroquinazolin-1-yl}-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CN(c(cccc2)c2C(N2Cc3nc(-c4ccccc4)no3)=O)C2=O)=O)c1

InChI

InChI=1S/C26H21N5O4/c1-17-8-7-11-19(14-17)27-22(32)15-30-21-13-6-5-12-20(21)25(33)31(26(30)34)16-23-28-24(29-35-23)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,27,32)

InChI Key

OQPUUELPBZLXCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.40

Polar Surface Area

85.759

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

E842-0144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E842-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0144?
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What is the minimum amount of E842-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0144
  • 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 E842-0144 available by request