C148-0045 Screening compound: ethyl 4-(4-{[(4-chlorophenyl)carbamoyl]methyl}-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

C148-0045 Screening compound: ethyl 4-(4-{[(4-chlorophenyl)carbamoyl]methyl}-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate
C148-0045 Screening compound: ethyl 4-(4-{[(4-chlorophenyl)carbamoyl]methyl}-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0045
ethyl 4-(4-{[(4-chlorophenyl)carbamoyl]methyl}-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

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

C148-0045

Molecular Formula

C24H25ClN4O5S (C24 H25 ClN4 O5 S)

Compound Name

ethyl 4-(4-{[(4-chlorophenyl)carbamoyl]methyl}-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

IUPAC name

ethyl 4-(4-{[(4-chlorophenyl)carbamoyl]methyl}-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(CC(Nc(cc1)ccc1Cl)=O)N1CCNC(C)=O)=O)C1=S)=O

InChI

InChI=1S/C24H25ClN4O5S/c1-3-34-23(33)16-4-10-19(11-5-16)29-22(32)20(28(24(29)35)13-12-26-15(2)30)14-21(31)27-18-8-6-17(25)7-9-18/h4-11,20H,3,12-14H2,1-2H3,(H,26,30)(H,27,31)/t20-/m0/s1

InChI Key

UXWOJCHCFGHHDO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14722420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.308

Distribution Coefficient, logD

2.307

Water Solubility, LogSw

-3.43

Polar Surface Area

86.826

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C148-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0045?
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What is the minimum amount of C148-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0045
  • 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 C148-0045 available by request