E200-0202 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

E200-0202 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
E200-0202 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E200-0202
N-(2H-1,3-benzodioxol-5-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

E200-0202

Molecular Formula

C20H17N3O6 (C20 H17 N3 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-24-dioxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCOc(cc1)ccc1N(C(C(C(Nc(cc1)cc2c1OCO2)=O)=CN1)=O)C1=O

InChI

InChI=1S/C20H17N3O6/c1-2-27-14-6-4-13(5-7-14)23-19(25)15(10-21-20(23)26)18(24)22-12-3-8-16-17(9-12)29-11-28-16/h3-10H,2,11H2,1H3,(H,21,26)(H,22,24)

InChI Key

IRQBHKBACUBQGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.37

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

2.364

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-3.03

Polar Surface Area

87.088

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E200-0202 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 E200-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E200-0202?
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What is the minimum amount of E200-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E200-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E200-0202
  • 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 E200-0202 available by request