2738-0100 Screening compound: ethyl 4-(2-{1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

2738-0100 Screening compound: ethyl 4-(2-{1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
2738-0100 Screening compound: ethyl 4-(2-{1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2738-0100
ethyl 4-(2-{1-benzyl-3-[2-(3,4-dimethoxyphenyl)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

2738-0100

Molecular Formula

C31H33N3O6S (C31 H33 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1Cc2ccccc2)=O)N(CCc(cc2)cc(OC)c2OC)C1=S)=O)=O

InChI

InChI=1S/C31H33N3O6S/c1-4-40-30(37)23-11-13-24(14-12-23)32-28(35)19-25-29(36)34(20-22-8-6-5-7-9-22)31(41)33(25)17-16-21-10-15-26(38-2)27(18-21)39-3/h5-15,18,25H,4,16-17,19-20H2,1-3H3,(H,32,35)/t25-/m1/s1

InChI Key

AJKVLGQFNLOEHP-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02142691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.39

Polar Surface Area

78.001

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

2738-0100 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 2738-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2738-0100?
Check Price and Availability of 2738-0100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2738-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2738-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2738-0100
  • 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 2738-0100 available by request