2739-0145 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

2739-0145 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide
2739-0145 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2739-0145
2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

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

2739-0145

Molecular Formula

C29H31N3O4S (C29 H31 N3 O4 S)

Compound Name

2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

IUPAC name

2-{3-[2-(34-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-phenylacetamide

SMILES

COc(ccc(CCN(C(CC(Nc1ccccc1)=O)C(N1CCc2ccccc2)=O)C1=S)c1)c1OC

InChI

InChI=1S/C29H31N3O4S/c1-35-25-14-13-22(19-26(25)36-2)16-17-31-24(20-27(33)30-23-11-7-4-8-12-23)28(34)32(29(31)37)18-15-21-9-5-3-6-10-21/h3-14,19,24H,15-18,20H2,1-2H3,(H,30,33)/t24-/m1/s1

InChI Key

DNXSIXAXZUNVSM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02142693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.15

Polar Surface Area

57.226

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

2739-0145 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 2739-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2739-0145?
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What is the minimum amount of 2739-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2739-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2739-0145
  • 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 2739-0145 available by request