C089-0069 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

C089-0069 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
C089-0069 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0069
2-[1-(3-chloro-4-methoxyphenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-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

C089-0069

Molecular Formula

C34H40ClN5O5S (C34 H40 ClN5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CC(C(N1c(cc2)cc(Cl)c2OC)=O)N(CCCN(CC2)CCN2c(cc2)ccc2OC)C1=S)=O

InChI

InChI=1S/C34H40ClN5O5S/c1-4-45-28-11-6-24(7-12-28)36-32(41)23-30-33(42)40(26-10-15-31(44-3)29(35)22-26)34(46)39(30)17-5-16-37-18-20-38(21-19-37)25-8-13-27(43-2)14-9-25/h6-15,22,30H,4-5,16-21,23H2,1-3H3,(H,36,41)/t30-/m1/s1

InChI Key

GICXVBQCZYRTGT-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD14718441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.24

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.64

Polar Surface Area

70.916

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.20

C089-0069 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 C089-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0069?
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What is the minimum amount of C089-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0069
  • 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 C089-0069 available by request