C089-0522 Screening compound: 2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide

C089-0522 Screening compound: 2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
C089-0522 Screening compound: 2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0522
2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)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

C089-0522

Molecular Formula

C35H40Cl2N4O3S (C35 H40 Cl2 N4 O3 S)

Compound Name

2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3,4-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide

IUPAC name

2-{3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(34-dichlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c(cc2)cc(Cl)c2Cl)=O)N(CCCN2CCC(Cc3ccccc3)CC2)C1=S)=O

InChI

InChI=1S/C35H40Cl2N4O3S/c1-2-21-44-29-12-9-27(10-13-29)38-33(42)24-32-34(43)41(28-11-14-30(36)31(37)23-28)35(45)40(32)18-6-17-39-19-15-26(16-20-39)22-25-7-4-3-5-8-25/h3-5,7-14,23,26,32H,2,6,15-22,24H2,1H3,(H,38,42)/t32-/m1/s1

InChI Key

BSVDOXBONOXZEZ-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD14718534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

667.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.369

Distribution Coefficient, logD

5.885

Water Solubility, LogSw

-6.33

Polar Surface Area

52.504

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C089-0522 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C089-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0522?
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What is the minimum amount of C089-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0522
  • 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 C089-0522 available by request