C148-0084 Screening compound: ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

C148-0084 Screening compound: ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate
C148-0084 Screening compound: ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0084
ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-(2-acetamidoethyl)-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

C148-0084

Molecular Formula

C25H27ClN4O6S (C25 H27 ClN4 O6 S)

Compound Name

ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[1-(3-chloro-4-methoxyphenyl)-3-(2-acetamidoethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)cc(Cl)c2OC)=O)N(CCNC(C)=O)C1=S)=O)=O

InChI

InChI=1S/C25H27ClN4O6S/c1-4-36-24(34)16-5-7-17(8-6-16)28-22(32)14-20-23(33)30(18-9-10-21(35-3)19(26)13-18)25(37)29(20)12-11-27-15(2)31/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,27,31)(H,28,32)/t20-/m1/s1

InChI Key

ZUJKOFSRFHBUPJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14722454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.03

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.088

Distribution Coefficient, logD

2.088

Water Solubility, LogSw

-3.29

Polar Surface Area

94.457

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C148-0084 in Drug Discovery

Included in Screening Libraries

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 C148-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0084?
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What is the minimum amount of C148-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0084
  • 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 C148-0084 available by request