C148-0578 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide

C148-0578 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide
C148-0578 Screening compound: 2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0578
2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-ethoxyphenyl)-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

C148-0578

Molecular Formula

C35H43N5O4S (C35 H43 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2OCC)=O)N(CCCN2CCN(Cc3ccccc3)CC2)C1=S)=O

InChI

InChI=1S/C35H43N5O4S/c1-3-43-30-15-11-28(12-16-30)36-33(41)25-32-34(42)40(29-13-17-31(18-14-29)44-4-2)35(45)39(32)20-8-19-37-21-23-38(24-22-37)26-27-9-6-5-7-10-27/h5-7,9-18,32H,3-4,8,19-26H2,1-2H3,(H,36,41)/t32-/m1/s1

InChI Key

NWEQTDHXYUAZCH-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD14722645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.91

Polar Surface Area

63.146

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C148-0578 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 C148-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0578?
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What is the minimum amount of C148-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0578
  • 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 C148-0578 available by request