E200-0342 Screening compound: ethyl 4-[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-amido]benzoate

E200-0342 Screening compound: ethyl 4-[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-amido]benzoate
E200-0342 Screening compound: ethyl 4-[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E200-0342
ethyl 4-[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-amido]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

E200-0342

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

ethyl 4-[3-(3,4-dimethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-amido]benzoate

IUPAC name

ethyl 4-[3-(34-dimethylphenyl)-24-dioxo-1234-tetrahydropyrimidine-5-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C(N1c2cc(C)c(C)cc2)=O)=CNC1=O)=O)=O

InChI

InChI=1S/C22H21N3O5/c1-4-30-21(28)15-6-8-16(9-7-15)24-19(26)18-12-23-22(29)25(20(18)27)17-10-5-13(2)14(3)11-17/h5-12H,4H2,1-3H3,(H,23,29)(H,24,26)

InChI Key

DARIPQHDBWJTAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.99

Polar Surface Area

83.602

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E200-0342 in Drug Discovery

Included in Screening Libraries

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
  • 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 E200-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E200-0342?
Check Price and Availability of E200-0342, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E200-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E200-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E200-0342
  • 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 E200-0342 available by request