1988-1613 Screening compound: 2-{2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1988-1613 Screening compound: 2-{2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1988-1613 Screening compound: 2-{2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1613
2-{2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

1988-1613

Molecular Formula

C21H18ClN3O4S2 (C21 H18 ClN3 O4 S2)

Compound Name

2-{2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-{2-[(5Z)-5-[(2-chlorophenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(CN(C(/C(/S2)=C/c(cccc3)c3Cl)=O)C2=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H18ClN3O4S2/c22-13-7-3-1-5-11(13)9-15-20(28)25(21(29)31-15)10-16(26)24-19-17(18(23)27)12-6-2-4-8-14(12)30-19/h1,3,5,7,9H,2,4,6,8,10H2,(H2,23,27)(H,24,26)

InChI Key

TXPFZVWPQRLDNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01162146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.205

Distribution Coefficient, logD

3.047

Water Solubility, LogSw

-3.88

Polar Surface Area

86.519

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 1988-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1613
  • 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 1988-1613 available by request