C089-0500 Screening compound: ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate

C089-0500 Screening compound: ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate
C089-0500 Screening compound: ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0500
ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate

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

C089-0500

Molecular Formula

C36H42ClN5O5S (C36 H42 ClN5 O5 S)

Compound Name

ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl)benzoate

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2C(OCC)=O)=O)N(CCCN(CC2)CCN2c2cccc(Cl)c2)C1=S)=O

InChI

InChI=1S/C36H42ClN5O5S/c1-3-23-47-31-15-11-28(12-16-31)38-33(43)25-32-34(44)42(29-13-9-26(10-14-29)35(45)46-4-2)36(48)41(32)18-6-17-39-19-21-40(22-20-39)30-8-5-7-27(37)24-30/h5,7-16,24,32H,3-4,6,17-23,25H2,1-2H3,(H,38,43)/t32-/m0/s1

InChI Key

ONGLMOZUNGQBJU-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD14718518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

692.28

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.807

Distribution Coefficient, logD

5.581

Water Solubility, LogSw

-5.92

Polar Surface Area

76.790

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

C089-0500 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 C089-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0500?
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What is the minimum amount of C089-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0500
  • 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 C089-0500 available by request