C148-0455 Screening compound: ethyl 4-[3-(2-acetamidoethyl)-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl]benzoate

C148-0455 Screening compound: ethyl 4-[3-(2-acetamidoethyl)-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl]benzoate
C148-0455 Screening compound: ethyl 4-[3-(2-acetamidoethyl)-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0455
ethyl 4-[3-(2-acetamidoethyl)-5-oxo-4-{[(4-propoxyphenyl)carbamoyl]methyl}-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

C148-0455

Molecular Formula

C27H32N4O6S (C27 H32 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2C(OCC)=O)=O)N(CCNC(C)=O)C1=S)=O

InChI

InChI=1S/C27H32N4O6S/c1-4-16-37-22-12-8-20(9-13-22)29-24(33)17-23-25(34)31(27(38)30(23)15-14-28-18(3)32)21-10-6-19(7-11-21)26(35)36-5-2/h6-13,23H,4-5,14-17H2,1-3H3,(H,28,32)(H,29,33)/t23-/m1/s1

InChI Key

XSDGYVNRZRDKBV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14722532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-2.99

Polar Surface Area

94.244

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with C148-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0455?
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What is the minimum amount of C148-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0455
  • 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 C148-0455 available by request