C089-0259 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

C089-0259 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
C089-0259 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0259
2-[1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-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

C089-0259

Molecular Formula

C26H31ClFN5O3S (C26 H31 ClFN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN1CCN(CCCN(C(CC(Nc(cc2)ccc2F)=O)C(N2c(cc3)cc(Cl)c3OC)=O)C2=S)CC1

InChI

InChI=1S/C26H31ClFN5O3S/c1-30-12-14-31(15-13-30)10-3-11-32-22(17-24(34)29-19-6-4-18(28)5-7-19)25(35)33(26(32)37)20-8-9-23(36-2)21(27)16-20/h4-9,16,22H,3,10-15,17H2,1-2H3,(H,29,34)/t22-/m1/s1

InChI Key

LVLTZWBKXAUPPN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14718466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.08

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-3.38

Polar Surface Area

56.465

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

C089-0259 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 C089-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0259?
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What is the minimum amount of C089-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0259
  • 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 C089-0259 available by request