E842-0027 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

E842-0027 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide
E842-0027 Screening compound: N-(5-chloro-2-methoxyphenyl)-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 E842-0027
N-(5-chloro-2-methoxyphenyl)-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

E842-0027

Molecular Formula

C21H18ClN5O5 (C21 H18 ClN5 O5)

Compound Name

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

SMILES

Cc1noc(CN(C(c(cccc2)c2N2CC(Nc(cc(cc3)Cl)c3OC)=O)=O)C2=O)n1

InChI

InChI=1S/C21H18ClN5O5/c1-12-23-19(32-25-12)11-27-20(29)14-5-3-4-6-16(14)26(21(27)30)10-18(28)24-15-9-13(22)7-8-17(15)31-2/h3-9H,10-11H2,1-2H3,(H,24,28)

InChI Key

PAVUKLLYZSLADH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.86

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-3.42

Polar Surface Area

92.576

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E842-0027 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E842-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0027?
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What is the minimum amount of E842-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0027
  • 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 E842-0027 available by request