C148-0433 Screening compound: 2-[1-(4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

C148-0433 Screening compound: 2-[1-(4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
C148-0433 Screening compound: 2-[1-(4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0433
2-[1-(4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

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

C148-0433

Molecular Formula

C31H35N5O3S (C31 H35 N5 O3 S)

Compound Name

2-[1-(4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

IUPAC name

2-[1-(4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

SMILES

COc(cc1)ccc1N(C(C(CC(Nc1ccccc1)=O)N1CCCN(CC2)CCN2c2ccccc2)=O)C1=S

InChI

InChI=1S/C31H35N5O3S/c1-39-27-15-13-26(14-16-27)36-30(38)28(23-29(37)32-24-9-4-2-5-10-24)35(31(36)40)18-8-17-33-19-21-34(22-20-33)25-11-6-3-7-12-25/h2-7,9-16,28H,8,17-23H2,1H3,(H,32,37)/t28-/m1/s1

InChI Key

HCSOCFLIJAKGEX-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14722515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.77

Polar Surface Area

56.162

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

C148-0433 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 C148-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0433?
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What is the minimum amount of C148-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0433
  • 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 C148-0433 available by request