C148-0680 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide

C148-0680 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
C148-0680 Screening compound: 2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C148-0680
2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)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

C148-0680

Molecular Formula

C25H29Cl2N5O3S (C25 H29 Cl2 N5 O3 S)

Compound Name

2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide

IUPAC name

2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide

SMILES

CN1CCN(CCN(C(CC(Nc(cc2)ccc2Cl)=O)C(N2c(cc3)cc(Cl)c3OC)=O)C2=S)CC1

InChI

InChI=1S/C25H29Cl2N5O3S/c1-29-9-11-30(12-10-29)13-14-31-21(16-23(33)28-18-5-3-17(26)4-6-18)24(34)32(25(31)36)19-7-8-22(35-2)20(27)15-19/h3-8,15,21H,9-14,16H2,1-2H3,(H,28,33)/t21-/m1/s1

InChI Key

MGUUEWBCLCHZFW-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14722734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

1.435

Water Solubility, LogSw

-3.52

Polar Surface Area

56.465

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C148-0680 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 C148-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C148-0680?
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What is the minimum amount of C148-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C148-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C148-0680
  • 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 C148-0680 available by request