C148-0509 Screening compound: N-(4-chlorophenyl)-2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide

C148-0509 Screening compound: N-(4-chlorophenyl)-2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide
C148-0509 Screening compound: N-(4-chlorophenyl)-2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0509
N-(4-chlorophenyl)-2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methylphenyl)-5-oxo-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

C148-0509

Molecular Formula

C27H34ClN5O2S (C27 H34 ClN5 O2 S)

Compound Name

N-(4-chlorophenyl)-2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide

IUPAC name

N-(4-chlorophenyl)-2-{3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamide

SMILES

CCN1CCN(CCCN(C(CC(Nc(cc2)ccc2Cl)=O)C(N2c3ccc(C)cc3)=O)C2=S)CC1

InChI

InChI=1S/C27H34ClN5O2S/c1-3-30-15-17-31(18-16-30)13-4-14-32-24(19-25(34)29-22-9-7-21(28)8-10-22)26(35)33(27(32)36)23-11-5-20(2)6-12-23/h5-12,24H,3-4,13-19H2,1-2H3,(H,29,34)/t24-/m0/s1

InChI Key

XMJAFJFROFBYEG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14722580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.12

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-3.56

Polar Surface Area

48.895

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C148-0509 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C148-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0509?
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What is the minimum amount of C148-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0509
  • 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 C148-0509 available by request