C148-0552 Screening compound: 2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

C148-0552 Screening compound: 2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
C148-0552 Screening compound: 2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0552
2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)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

C148-0552

Molecular Formula

C28H37N5O4S (C28 H37 N5 O4 S)

Compound Name

2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

IUPAC name

2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1OC)=O)N1CCCN2CCN(C)CC2)=O)C1=S

InChI

InChI=1S/C28H37N5O4S/c1-4-37-24-12-8-22(9-13-24)33-27(35)25(20-26(34)29-21-6-10-23(36-3)11-7-21)32(28(33)38)15-5-14-31-18-16-30(2)17-19-31/h6-13,25H,4-5,14-20H2,1-3H3,(H,29,34)/t25-/m1/s1

InChI Key

DFISEVFRCUWIEL-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14722620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-2.79

Polar Surface Area

63.502

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

C148-0552 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 C148-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0552?
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What is the minimum amount of C148-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0552
  • 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 C148-0552 available by request