8014-7904 Screening compound: ethyl 4-{3-(4-chlorobenzyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate

8014-7904 Screening compound: ethyl 4-{3-(4-chlorobenzyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
8014-7904 Screening compound: ethyl 4-{3-(4-chlorobenzyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7904
ethyl 4-{3-(4-chlorobenzyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}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

8014-7904

Molecular Formula

C28H26ClN3O5S (C28 H26 ClN3 O5 S)

Compound Name

ethyl 4-{3-(4-chlorobenzyl)-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate

IUPAC name

ethyl 4-{3-[(4-chlorophenyl)methyl]-4-{[(4-methoxyphenyl)carbamoyl]methyl}-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1OC)=O)N1Cc(cc2)ccc2Cl)=O)C1=S)=O

InChI

InChI=1S/C28H26ClN3O5S/c1-3-37-27(35)19-6-12-22(13-7-19)32-26(34)24(16-25(33)30-21-10-14-23(36-2)15-11-21)31(28(32)38)17-18-4-8-20(29)9-5-18/h4-15,24H,3,16-17H2,1-2H3,(H,30,33)/t24-/m0/s1

InChI Key

PJDAFGVBPLSSEZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02142212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.727

Distribution Coefficient, logD

4.727

Water Solubility, LogSw

-4.89

Polar Surface Area

69.695

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

8014-7904 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-7904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7904?
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What is the minimum amount of 8014-7904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7904
  • 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 8014-7904 available by request