C089-0234 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

C089-0234 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
C089-0234 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0234
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)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

C089-0234

Molecular Formula

C32H35ClFN5O3S (C32 H35 ClFN5 O3 S)

Compound Name

2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

IUPAC name

2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

SMILES

COc(ccc(N(C(C(CC(Nc(cc1)ccc1F)=O)N1CCCN2CCN(Cc3ccccc3)CC2)=O)C1=S)c1)c1Cl

InChI

InChI=1S/C32H35ClFN5O3S/c1-42-29-13-12-26(20-27(29)33)39-31(41)28(21-30(40)35-25-10-8-24(34)9-11-25)38(32(39)43)15-5-14-36-16-18-37(19-17-36)22-23-6-3-2-4-7-23/h2-4,6-13,20,28H,5,14-19,21-22H2,1H3,(H,35,40)/t28-/m1/s1

InChI Key

UYCKBFFCORJRQZ-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14718460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.18

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

3.748

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-4.13

Polar Surface Area

56.529

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

C089-0234 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C089-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0234?
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What is the minimum amount of C089-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0234
  • 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 C089-0234 available by request