2110-0187 Screening compound: 2-{2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2110-0187 Screening compound: 2-{2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2110-0187 Screening compound: 2-{2-[(5Z)-5-[(2,4-dichlorophenyl)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 2110-0187
2-{2-[(5Z)-5-[(2,4-dichlorophenyl)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

2110-0187

Molecular Formula

C21H17Cl2N3O4S2 (C21 H17 Cl2 N3 O4 S2)

Compound Name

2-{2-[(5Z)-5-[(2,4-dichlorophenyl)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-[(24-dichlorophenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(CN(C(/C(/S2)=C/c(ccc(Cl)c3)c3Cl)=O)C2=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H17Cl2N3O4S2/c22-11-6-5-10(13(23)8-11)7-15-20(29)26(21(30)32-15)9-16(27)25-19-17(18(24)28)12-3-1-2-4-14(12)31-19/h5-8H,1-4,9H2,(H2,24,28)(H,25,27)

InChI Key

BGEXWWNTAUPFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01162145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.42

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

4.054

Distribution Coefficient, logD

3.896

Water Solubility, LogSw

-4.70

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

2110-0187 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2110-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2110-0187?
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What is the minimum amount of 2110-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2110-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2110-0187
  • 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 2110-0187 available by request