C089-0117 Screening compound: 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide

C089-0117 Screening compound: 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide
C089-0117 Screening compound: 2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C089-0117
2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-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

C089-0117

Molecular Formula

C30H41N5O3S2 (C30 H41 N5 O3 S2)

Compound Name

2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide

IUPAC name

2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-propoxyphenyl)acetamide

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c2cc(SC)ccc2)=O)N(CCCN2CCN(CC)CC2)C1=S)=O

InChI

InChI=1S/C30H41N5O3S2/c1-4-20-38-25-12-10-23(11-13-25)31-28(36)22-27-29(37)35(24-8-6-9-26(21-24)40-3)30(39)34(27)15-7-14-33-18-16-32(5-2)17-19-33/h6,8-13,21,27H,4-5,7,14-20,22H2,1-3H3,(H,31,36)/t27-/m1/s1

InChI Key

GRTDYHLCRFHOFH-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD14718451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-3.77

Polar Surface Area

56.312

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C089-0117 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 C089-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C089-0117?
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What is the minimum amount of C089-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C089-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C089-0117
  • 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 C089-0117 available by request