E842-0189 Screening compound: ethyl 2-(2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

E842-0189 Screening compound: ethyl 2-(2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate
E842-0189 Screening compound: ethyl 2-(2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E842-0189
ethyl 2-(2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

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

E842-0189

Molecular Formula

C28H23N5O6 (C28 H23 N5 O6)

Compound Name

ethyl 2-(2-{2,4-dioxo-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{24-dioxo-3-[(3-phenyl-124-oxadiazol-5-yl)methyl]-1234-tetrahydroquinazolin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cccc1)c1C(N1Cc2nc(-c3ccccc3)no2)=O)C1=O)=O)=O

InChI

InChI=1S/C28H23N5O6/c1-2-38-27(36)19-12-6-8-14-21(19)29-23(34)16-32-22-15-9-7-13-20(22)26(35)33(28(32)37)17-24-30-25(31-39-24)18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,29,34)

InChI Key

URYSXOLKSFVASR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.17

Polar Surface Area

105.815

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E842-0189 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E842-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0189?
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What is the minimum amount of E842-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0189
  • 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 E842-0189 available by request