E842-0049 Screening compound: ethyl 2-(2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate

E842-0049 Screening compound: ethyl 2-(2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate
E842-0049 Screening compound: ethyl 2-(2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E842-0049
ethyl 2-(2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-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

E842-0049

Molecular Formula

C23H21N5O6 (C23 H21 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H21N5O6/c1-3-33-22(31)15-8-4-6-10-17(15)25-19(29)12-27-18-11-7-5-9-16(18)21(30)28(23(27)32)13-20-24-14(2)26-34-20/h4-11H,3,12-13H2,1-2H3,(H,25,29)

InChI Key

ZLYXLKITLWDTGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.96

Polar Surface Area

105.699

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E842-0049 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E842-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0049?
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What is the minimum amount of E842-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0049
  • 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 E842-0049 available by request