C089-0142 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide

C089-0142 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide
C089-0142 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0142
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-chlorophenyl)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

C089-0142

Molecular Formula

C32H36ClN5O2S2 (C32 H36 ClN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1cccc(N(C(C(CC(Nc(cc2)ccc2Cl)=O)N2CCCN3CCN(Cc4ccccc4)CC3)=O)C2=S)c1

InChI

InChI=1S/C32H36ClN5O2S2/c1-42-28-10-5-9-27(21-28)38-31(40)29(22-30(39)34-26-13-11-25(33)12-14-26)37(32(38)41)16-6-15-35-17-19-36(20-18-35)23-24-7-3-2-4-8-24/h2-5,7-14,21,29H,6,15-20,22-23H2,1H3,(H,34,39)/t29-/m0/s1

InChI Key

AIQSOBWIXQIKFL-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14718453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-4.47

Polar Surface Area

48.898

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

C089-0142 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 C089-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0142?
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What is the minimum amount of C089-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0142
  • 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 C089-0142 available by request