C202-2358 Screening compound: ethyl 4-[2-(2-{[(4-ethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate

C202-2358 Screening compound: ethyl 4-[2-(2-{[(4-ethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate
C202-2358 Screening compound: ethyl 4-[2-(2-{[(4-ethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2358
ethyl 4-[2-(2-{[(4-ethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-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

C202-2358

Molecular Formula

C27H27N5O8S (C27 H27 N5 O8 S)

Compound Name

ethyl 4-[2-(2-{[(4-ethoxyphenyl)(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(2-{[(4-ethoxyphenyl)(6-hydroxy-24-dioxo-1234-tetrahydropyrimidin-5-yl)methyl]amino}-4-oxo-45-dihydro-13-thiazol-5-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC1SC(NC(c(cc2)ccc2OCC)C(C(NC(N2)=O)=O)=C2O)=NC1=O)=O)=O

InChI

InChI=1S/C27H27N5O8S/c1-3-39-17-11-7-14(8-12-17)21(20-23(35)30-26(38)31-24(20)36)29-27-32-22(34)18(41-27)13-19(33)28-16-9-5-15(6-10-16)25(37)40-4-2/h5-12,18,21H,3-4,13H2,1-2H3,(H,28,33)(H,29,32,34)(H3,30,31,35,36,38)

InChI Key

LGPMVROELSAKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14730939

Chemical and Physical Properties

Saltdata

CH3COOH

Molecular Weight

581.61

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

-2.411

Water Solubility, LogSw

-2.59

Polar Surface Area

148.107

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

C202-2358 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C202-2358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2358?
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What is the minimum amount of C202-2358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2358
  • 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 C202-2358 available by request