C148-0584 Screening compound: ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

C148-0584 Screening compound: ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
C148-0584 Screening compound: ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0584
ethyl 4-(2-{3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-methoxyphenyl)-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

C148-0584

Molecular Formula

C35H41N5O5S (C35 H41 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c(cc2)ccc2OC)=O)N(CCCN2CCN(Cc3ccccc3)CC2)C1=S)=O)=O

InChI

InChI=1S/C35H41N5O5S/c1-3-45-34(43)27-10-12-28(13-11-27)36-32(41)24-31-33(42)40(29-14-16-30(44-2)17-15-29)35(46)39(31)19-7-18-37-20-22-38(23-21-37)25-26-8-5-4-6-9-26/h4-6,8-17,31H,3,7,18-25H2,1-2H3,(H,36,41)/t31-/m1/s1

InChI Key

DXZXXARRGIATGD-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14722649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

643.81

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.558

Water Solubility, LogSw

-3.98

Polar Surface Area

77.196

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.10

C148-0584 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 C148-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0584?
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What is the minimum amount of C148-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0584
  • 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 C148-0584 available by request