1889-0982 Screening compound: 2-chloro-N-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

1889-0982 Screening compound: 2-chloro-N-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
1889-0982 Screening compound: 2-chloro-N-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-0982
2-chloro-N-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

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

1889-0982

Molecular Formula

C17H9Cl2N3O4S2 (C17 H9 Cl2 N3 O4 S2)

Compound Name

2-chloro-N-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

IUPAC name

2-chloro-N-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzamide

SMILES

[O-][N+](c(cc(/C=C(/C(N1NC(c(cccc2)c2Cl)=O)=O)\SC1=S)cc1)c1Cl)=O

InChI

InChI=1S/C17H9Cl2N3O4S2/c18-11-4-2-1-3-10(11)15(23)20-21-16(24)14(28-17(21)27)8-9-5-6-12(19)13(7-9)22(25)26/h1-8H,(H,20,23)

InChI Key

NZUDLXSEXYXSKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-4.25

Polar Surface Area

75.924

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1889-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-0982
  • 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 1889-0982 available by request