1988-1681 Screening compound: 2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide

1988-1681 Screening compound: 2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
1988-1681 Screening compound: 2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1681
2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-1-yl)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

1988-1681

Molecular Formula

C17H19ClN4O3S (C17 H19 ClN4 O3 S)

Compound Name

2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide

IUPAC name

2-[(5E)-5-[(4-chlorophenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]-N-(4-methylpiperazin-1-yl)acetamide

SMILES

CN(CC1)CCN1NC(CN(C(/C(/S1)=C\c(cc2)ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C17H19ClN4O3S/c1-20-6-8-21(9-7-20)19-15(23)11-22-16(24)14(26-17(22)25)10-12-2-4-13(18)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,19,23)

InChI Key

KHUJUMSOEMPERI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01123512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.503

Distribution Coefficient, logD

0.284

Water Solubility, LogSw

-3.04

Polar Surface Area

62.183

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

1988-1681 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1988-1681 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-1681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1681
  • 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 1988-1681 available by request