1996-0126 Screening compound: (5Z)-3-benzyl-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1996-0126 Screening compound: (5Z)-3-benzyl-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1996-0126 Screening compound: (5Z)-3-benzyl-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0126
(5Z)-3-benzyl-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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

1996-0126

Molecular Formula

C22H17NO2S2 (C22 H17 NO2 S2)

Compound Name

(5Z)-3-benzyl-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-benzyl-5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc1ccc(/C=C(/C(N2Cc3ccccc3)=O)\SC2=S)c2ccccc12

InChI

InChI=1S/C22H17NO2S2/c1-25-19-12-11-16(17-9-5-6-10-18(17)19)13-20-21(24)23(22(26)27-20)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3

InChI Key

RBYKJSUGXLEELL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.75

Polar Surface Area

23.801

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1996-0126 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1996-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0126?
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What is the minimum amount of 1996-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0126
  • 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 1996-0126 available by request