C089-0518 Screening compound: 2-[1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

C089-0518 Screening compound: 2-[1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
C089-0518 Screening compound: 2-[1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0518
2-[1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)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

C089-0518

Molecular Formula

C28H36ClN5O3S (C28 H36 ClN5 O3 S)

Compound Name

2-[1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-[1-(4-chlorophenyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

SMILES

CCN1CCN(CCCN(C(CC(Nc(cc2)ccc2OCC)=O)C(N2c(cc3)ccc3Cl)=O)C2=S)CC1

InChI

InChI=1S/C28H36ClN5O3S/c1-3-31-16-18-32(19-17-31)14-5-15-33-25(20-26(35)30-22-8-12-24(13-9-22)37-4-2)27(36)34(28(33)38)23-10-6-21(29)7-11-23/h6-13,25H,3-5,14-20H2,1-2H3,(H,30,35)/t25-/m1/s1

InChI Key

LLVNHLRDMWFHPF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14718531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.154

Distribution Coefficient, logD

2.206

Water Solubility, LogSw

-3.62

Polar Surface Area

56.018

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

C089-0518 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C089-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0518?
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What is the minimum amount of C089-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0518
  • 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 C089-0518 available by request