1988-1559 Screening compound: 2-{2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1988-1559 Screening compound: 2-{2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1988-1559 Screening compound: 2-{2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1559
2-{2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-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

1988-1559

Molecular Formula

C21H17Cl2N3O3S3 (C21 H17 Cl2 N3 O3 S3)

Compound Name

2-{2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-{2-[(5E)-5-[(26-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(CN(C(/C(/S2)=C\c(c(Cl)ccc3)c3Cl)=O)C2=S)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H17Cl2N3O3S3/c22-12-5-3-6-13(23)11(12)8-15-20(29)26(21(30)32-15)9-16(27)25-19-17(18(24)28)10-4-1-2-7-14(10)31-19/h3,5-6,8H,1-2,4,7,9H2,(H2,24,28)(H,25,27)

InChI Key

YQILPYHWBDUEOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01462915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.95

Polar Surface Area

73.366

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

1988-1559 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 1988-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1559?
Check Price and Availability of 1988-1559, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1988-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1559
  • 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 1988-1559 available by request