E200-0244 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

E200-0244 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
E200-0244 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E200-0244
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

E200-0244

Molecular Formula

C21H19N3O6 (C21 H19 N3 O6)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-24-dioxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCOc(cc1)ccc1N(C(C(C(Nc(cc1)cc2c1OCCO2)=O)=CN1)=O)C1=O

InChI

InChI=1S/C21H19N3O6/c1-2-28-15-6-4-14(5-7-15)24-20(26)16(12-22-21(24)27)19(25)23-13-3-8-17-18(11-13)30-10-9-29-17/h3-8,11-12H,2,9-10H2,1H3,(H,22,27)(H,23,25)

InChI Key

AUJNJQUYUZJJTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.503

Distribution Coefficient, logD

1.093

Water Solubility, LogSw

-2.36

Polar Surface Area

85.796

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E200-0244 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E200-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E200-0244?
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What is the minimum amount of E200-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E200-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E200-0244
  • 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 E200-0244 available by request