1682-2033 Screening compound: 2-chloro-N-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

1682-2033 Screening compound: 2-chloro-N-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
1682-2033 Screening compound: 2-chloro-N-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2033
2-chloro-N-[(5Z)-5-[(3,4-dimethoxyphenyl)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

1682-2033

Molecular Formula

C19H15ClN2O4S2 (C19 H15 ClN2 O4 S2)

Compound Name

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

IUPAC name

2-chloro-N-[(5Z)-5-[(34-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzamide

SMILES

COc(ccc(/C=C(/C(N1NC(c(cccc2)c2Cl)=O)=O)\SC1=S)c1)c1OC

InChI

InChI=1S/C19H15ClN2O4S2/c1-25-14-8-7-11(9-15(14)26-2)10-16-18(24)22(19(27)28-16)21-17(23)12-5-3-4-6-13(12)20/h3-10H,1-2H3,(H,21,23)

InChI Key

UHWANIMJYLQHDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00586632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.69

Polar Surface Area

58.104

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1682-2033 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-2033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2033?
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What is the minimum amount of 1682-2033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2033
  • 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 1682-2033 available by request