8014-8543 Screening compound: ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-(3-pyridylmethyl)-2-thioxo-1-imidazolidinyl]benzoate

8014-8543 Screening compound: ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-(3-pyridylmethyl)-2-thioxo-1-imidazolidinyl]benzoate
8014-8543 Screening compound: ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-(3-pyridylmethyl)-2-thioxo-1-imidazolidinyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8543
ethyl 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-3-(3-pyridylmethyl)-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

8014-8543

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1OC)=O)N1Cc2cnccc2)=O)C1=S)=O

InChI

InChI=1S/C27H26N4O5S/c1-3-36-26(34)19-6-10-21(11-7-19)31-25(33)23(30(27(31)37)17-18-5-4-14-28-16-18)15-24(32)29-20-8-12-22(35-2)13-9-20/h4-14,16,23H,3,15,17H2,1-2H3,(H,29,32)/t23-/m1/s1

InChI Key

LHLLHZDXQBNKKS-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03820419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.818

Water Solubility, LogSw

-3.09

Polar Surface Area

79.212

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8014-8543 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 8014-8543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8543?
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What is the minimum amount of 8014-8543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8543
  • 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 8014-8543 available by request