1996-0083 Screening compound: (5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

1996-0083 Screening compound: (5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
1996-0083 Screening compound: (5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0083
(5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-3-phenyl-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

1996-0083

Molecular Formula

C19H14N2OS2 (C19 H14 N2 OS2)

Compound Name

(5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-3-phenyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cn1c(cccc2)c2c(/C=C(/C(N2c3ccccc3)=O)\SC2=S)c1

InChI

InChI=1S/C19H14N2OS2/c1-20-12-13(15-9-5-6-10-16(15)20)11-17-18(22)21(19(23)24-17)14-7-3-2-4-8-14/h2-12H,1H3

InChI Key

AEJKOWMSMUMHQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.13

Polar Surface Area

18.390

Acid Dissociation Constant (pKa)

31.15

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

1996-0083 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1996-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0083?
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What is the minimum amount of 1996-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0083
  • 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 1996-0083 available by request