2110-0130 Screening compound: N-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide

2110-0130 Screening compound: N-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide
2110-0130 Screening compound: N-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2110-0130
N-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide

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

2110-0130

Molecular Formula

C17H10ClN3O4S2 (C17 H10 ClN3 O4 S2)

Compound Name

N-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide

IUPAC name

N-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-2-nitrobenzamide

SMILES

[O-][N+](c(cccc1)c1C(NN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=S)=O)=O

InChI

InChI=1S/C17H10ClN3O4S2/c18-11-7-5-10(6-8-11)9-14-16(23)20(17(26)27-14)19-15(22)12-3-1-2-4-13(12)21(24)25/h1-9H,(H,19,22)

InChI Key

CHFKDGUIQXZZCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01035587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

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

3.313

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-4.25

Polar Surface Area

75.924

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2110-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2110-0130?
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What is the minimum amount of 2110-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2110-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2110-0130
  • 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 2110-0130 available by request