C089-0027 Screening compound: 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

C089-0027 Screening compound: 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
C089-0027 Screening compound: 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0027
2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

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

C089-0027

Molecular Formula

C28H37N5O3S2 (C28 H37 N5 O3 S2)

Compound Name

2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide

SMILES

CCN1CCN(CCCN(C(CC(Nc(cc2)ccc2OC)=O)C(N2c3cc(SC)ccc3)=O)C2=S)CC1

InChI

InChI=1S/C28H37N5O3S2/c1-4-30-15-17-31(18-16-30)13-6-14-32-25(20-26(34)29-21-9-11-23(36-2)12-10-21)27(35)33(28(32)37)22-7-5-8-24(19-22)38-3/h5,7-12,19,25H,4,6,13-18,20H2,1-3H3,(H,29,34)/t25-/m1/s1

InChI Key

VAXSCXQAOFCDHM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14718436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.77

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

1.653

Water Solubility, LogSw

-3.12

Polar Surface Area

56.438

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

C089-0027 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 C089-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0027?
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What is the minimum amount of C089-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0027
  • 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 C089-0027 available by request