5593-1154 Screening compound: methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

5593-1154 Screening compound: methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
5593-1154 Screening compound: methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-1154
methyl 4-(2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-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

5593-1154

Molecular Formula

C25H29N3O6S (C25 H29 N3 O6 S)

Compound Name

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

IUPAC name

methyl 4-(2-{3-[2-(34-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

SMILES

CCN(C(C(CC(Nc(cc1)ccc1C(OC)=O)=O)N1CCc(cc2)cc(OC)c2OC)=O)C1=S

InChI

InChI=1S/C25H29N3O6S/c1-5-27-23(30)19(15-22(29)26-18-9-7-17(8-10-18)24(31)34-4)28(25(27)35)13-12-16-6-11-20(32-2)21(14-16)33-3/h6-11,14,19H,5,12-13,15H2,1-4H3,(H,26,29)/t19-/m1/s1

InChI Key

ZYGLQSKLKKDJKG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02142680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.798

Water Solubility, LogSw

-3.42

Polar Surface Area

78.418

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

5593-1154 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 5593-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-1154?
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What is the minimum amount of 5593-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-1154
  • 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 5593-1154 available by request