C148-0081 Screening compound: N-{2-[3-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]ethyl}acetamide

C148-0081 Screening compound: N-{2-[3-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]ethyl}acetamide
C148-0081 Screening compound: N-{2-[3-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0081
N-{2-[3-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]ethyl}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

C148-0081

Molecular Formula

C22H22ClFN4O4S (C22 H22 ClFN4 O4 S)

Compound Name

N-{2-[3-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]ethyl}acetamide

IUPAC name

N-{2-[3-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]ethyl}acetamide

SMILES

CC(NCCN(C(CC(Nc(cc1)ccc1F)=O)C(N1c(cc2)cc(Cl)c2OC)=O)C1=S)=O

InChI

InChI=1S/C22H22ClFN4O4S/c1-13(29)25-9-10-27-18(12-20(30)26-15-5-3-14(24)4-6-15)21(31)28(22(27)33)16-7-8-19(32-2)17(23)11-16/h3-8,11,18H,9-10,12H2,1-2H3,(H,25,29)(H,26,30)/t18-/m1/s1

InChI Key

DUPHERIRYGEJJX-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14722451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.516

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.85

Polar Surface Area

73.703

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C148-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0081?
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What is the minimum amount of C148-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0081
  • 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 C148-0081 available by request