C148-0568 Screening compound: 2-[1-(4-fluorophenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

C148-0568 Screening compound: 2-[1-(4-fluorophenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
C148-0568 Screening compound: 2-[1-(4-fluorophenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0568
2-[1-(4-fluorophenyl)-3-{3-[4-(4-fluorophenyl)piperazin-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

C148-0568

Molecular Formula

C31H33F2N5O3S (C31 H33 F2 N5 O3 S)

Compound Name

2-[1-(4-fluorophenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

IUPAC name

2-[1-(4-fluorophenyl)-3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2F)=O)N(CCCN(CC2)CCN2c(cc2)ccc2F)C1=S)=O

InChI

InChI=1S/C31H33F2N5O3S/c1-41-27-13-7-24(8-14-27)34-29(39)21-28-30(40)38(26-11-5-23(33)6-12-26)31(42)37(28)16-2-15-35-17-19-36(20-18-35)25-9-3-22(32)4-10-25/h3-14,28H,2,15-21H2,1H3,(H,34,39)/t28-/m1/s1

InChI Key

KGRKKFNGZBDYDY-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD14722636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.7

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

3.825

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-4.04

Polar Surface Area

56.162

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

C148-0568 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 C148-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0568?
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What is the minimum amount of C148-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0568
  • 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 C148-0568 available by request