2739-0146 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

2739-0146 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
2739-0146 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2739-0146
2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

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

2739-0146

Molecular Formula

C29H30FN3O4S (C29 H30 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCN(C(CC(Nc(cc1)ccc1F)=O)C(N1CCc2ccccc2)=O)C1=S)c1)c1OC

InChI

InChI=1S/C29H30FN3O4S/c1-36-25-13-8-21(18-26(25)37-2)15-16-32-24(19-27(34)31-23-11-9-22(30)10-12-23)28(35)33(29(32)38)17-14-20-6-4-3-5-7-20/h3-13,18,24H,14-17,19H2,1-2H3,(H,31,34)/t24-/m1/s1

InChI Key

CBTGHEOMJSCRHC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02142694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.64

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

4.138

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.29

Polar Surface Area

57.226

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

2739-0146 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2739-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2739-0146?
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What is the minimum amount of 2739-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2739-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2739-0146
  • 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 2739-0146 available by request