C148-0617 Screening compound: N-(4-ethoxyphenyl)-2-{1-[3-(methylsulfanyl)phenyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamide

C148-0617 Screening compound: N-(4-ethoxyphenyl)-2-{1-[3-(methylsulfanyl)phenyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamide
C148-0617 Screening compound: N-(4-ethoxyphenyl)-2-{1-[3-(methylsulfanyl)phenyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0617
N-(4-ethoxyphenyl)-2-{1-[3-(methylsulfanyl)phenyl]-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl}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

C148-0617

Molecular Formula

C33H39N5O3S2 (C33 H39 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CC(C(N1c2cc(SC)ccc2)=O)N(CCCN(CC2)CCN2c2ccccc2)C1=S)=O

InChI

InChI=1S/C33H39N5O3S2/c1-3-41-28-15-13-25(14-16-28)34-31(39)24-30-32(40)38(27-11-7-12-29(23-27)43-2)33(42)37(30)18-8-17-35-19-21-36(22-20-35)26-9-5-4-6-10-26/h4-7,9-16,23,30H,3,8,17-22,24H2,1-2H3,(H,34,39)/t30-/m1/s1

InChI Key

AFOAFQMXIOXLEO-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD14722679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.11

Polar Surface Area

55.742

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C148-0617 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 C148-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0617?
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What is the minimum amount of C148-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0617
  • 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 C148-0617 available by request