C089-0485 Screening compound: ethyl 4-(4-{[(4-ethoxyphenyl)carbamoyl]methyl}-5-oxo-3-[3-(piperidin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl)benzoate

C089-0485 Screening compound: ethyl 4-(4-{[(4-ethoxyphenyl)carbamoyl]methyl}-5-oxo-3-[3-(piperidin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl)benzoate
C089-0485 Screening compound: ethyl 4-(4-{[(4-ethoxyphenyl)carbamoyl]methyl}-5-oxo-3-[3-(piperidin-1-yl)propyl]-2-sulfanylideneimidazolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0485
ethyl 4-(4-{[(4-ethoxyphenyl)carbamoyl]methyl}-5-oxo-3-[3-(piperidin-1-yl)propyl]-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

C089-0485

Molecular Formula

C30H38N4O5S (C30 H38 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1OCC)=O)N1CCCN2CCCCC2)=O)C1=S)=O

InChI

InChI=1S/C30H38N4O5S/c1-3-38-25-15-11-23(12-16-25)31-27(35)21-26-28(36)34(24-13-9-22(10-14-24)29(37)39-4-2)30(40)33(26)20-8-19-32-17-6-5-7-18-32/h9-16,26H,3-8,17-21H2,1-2H3,(H,31,35)/t26-/m1/s1

InChI Key

SHQBKRDRPDDUQR-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14718505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-3.90

Polar Surface Area

73.235

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

C089-0485 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 C089-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0485?
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What is the minimum amount of C089-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0485
  • 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 C089-0485 available by request