1682-9713 Screening compound: N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide

1682-9713 Screening compound: N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
1682-9713 Screening compound: N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9713
N-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-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

1682-9713

Molecular Formula

C18H13N3O5S2 (C18 H13 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(/C=C(/C(N2NC(c(cc3)ccc3[N+]([O-])=O)=O)=O)\SC2=S)c1

InChI

InChI=1S/C18H13N3O5S2/c1-26-14-4-2-3-11(9-14)10-15-17(23)20(18(27)28-15)19-16(22)12-5-7-13(8-6-12)21(24)25/h2-10H,1H3,(H,19,22)

InChI Key

XEJFYIHFYLVEFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.58

Polar Surface Area

83.769

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

1682-9713 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1682-9713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9713?
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What is the minimum amount of 1682-9713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9713
  • 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 1682-9713 available by request