5593-1969 Screening compound: methyl 4-{2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

5593-1969 Screening compound: methyl 4-{2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
5593-1969 Screening compound: methyl 4-{2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-1969
methyl 4-{2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}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

5593-1969

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

methyl 4-{2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

CCN(C(C(CC(Nc(cc1)ccc1C(OC)=O)=O)N1CCc2ccccc2)=O)C1=S

InChI

InChI=1S/C23H25N3O4S/c1-3-25-21(28)19(26(23(25)31)14-13-16-7-5-4-6-8-16)15-20(27)24-18-11-9-17(10-12-18)22(29)30-2/h4-12,19H,3,13-15H2,1-2H3,(H,24,27)/t19-/m1/s1

InChI Key

CNHDYFRBDBAJOQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02142500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-3.48

Polar Surface Area

63.157

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

5593-1969 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 5593-1969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-1969?
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What is the minimum amount of 5593-1969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-1969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-1969
  • 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 5593-1969 available by request