E842-0050 Screening compound: N-(2-chloro-4-methylphenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

E842-0050 Screening compound: N-(2-chloro-4-methylphenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide
E842-0050 Screening compound: N-(2-chloro-4-methylphenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E842-0050
N-(2-chloro-4-methylphenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}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

E842-0050

Molecular Formula

C21H18ClN5O4 (C21 H18 ClN5 O4)

Compound Name

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

IUPAC name

N-(2-chloro-4-methylphenyl)-2-{3-[(3-methyl-124-oxadiazol-5-yl)methyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}acetamide

SMILES

Cc1noc(CN(C(c(cccc2)c2N2CC(Nc(ccc(C)c3)c3Cl)=O)=O)C2=O)n1

InChI

InChI=1S/C21H18ClN5O4/c1-12-7-8-16(15(22)9-12)24-18(28)10-26-17-6-4-3-5-14(17)20(29)27(21(26)30)11-19-23-13(2)25-31-19/h3-9H,10-11H2,1-2H3,(H,24,28)

InChI Key

DVCAYHWRRSCEMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.659

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.57

Polar Surface Area

84.946

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E842-0050 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E842-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0050?
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What is the minimum amount of E842-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0050
  • 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 E842-0050 available by request