E842-0046 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

E842-0046 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide
E842-0046 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 E842-0046
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

E842-0046

Molecular Formula

C24H25N5O6 (C24 H25 N5 O6)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-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-(34-dimethoxyphenyl)ethyl]-2-{3-[(3-methyl-124-oxadiazol-5-yl)methyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}acetamide

SMILES

Cc1noc(CN(C(c(cccc2)c2N2CC(NCCc(cc3)cc(OC)c3OC)=O)=O)C2=O)n1

InChI

InChI=1S/C24H25N5O6/c1-15-26-22(35-27-15)14-29-23(31)17-6-4-5-7-18(17)28(24(29)32)13-21(30)25-11-10-16-8-9-19(33-2)20(12-16)34-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,25,30)

InChI Key

GHQRINWTWNJOON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.805

Distribution Coefficient, logD

0.805

Water Solubility, LogSw

-2.40

Polar Surface Area

102.068

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E842-0046 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E842-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0046?
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What is the minimum amount of E842-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0046
  • 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 E842-0046 available by request