8014-5428 Screening compound: ethyl 4-[(2-{1-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate

8014-5428 Screening compound: ethyl 4-[(2-{1-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate
8014-5428 Screening compound: ethyl 4-[(2-{1-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5428
ethyl 4-[(2-{1-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]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

8014-5428

Molecular Formula

C28H25ClN4O6S (C28 H25 ClN4 O6 S)

Compound Name

ethyl 4-[(2-{1-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate

IUPAC name

ethyl 4-{2-[1-(4-chlorophenyl)-3-(3-methoxybenzamido)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N(C1=S)c(cc2)ccc2Cl)=O)N1NC(c1cc(OC)ccc1)=O)=O)=O

InChI

InChI=1S/C28H25ClN4O6S/c1-3-39-27(37)17-7-11-20(12-8-17)30-24(34)16-23-26(36)32(21-13-9-19(29)10-14-21)28(40)33(23)31-25(35)18-5-4-6-22(15-18)38-2/h4-15,23H,3,16H2,1-2H3,(H,30,34)(H,31,35)/t23-/m1/s1

InChI Key

GNNYOJHJLVBRHE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03487328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.05

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

1.524

Water Solubility, LogSw

-4.64

Polar Surface Area

96.096

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.86

8014-5428 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-5428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5428?
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What is the minimum amount of 8014-5428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5428
  • 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 8014-5428 available by request