1996-0176 Screening compound: (5Z)-3-benzyl-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1996-0176 Screening compound: (5Z)-3-benzyl-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1996-0176 Screening compound: (5Z)-3-benzyl-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0176
(5Z)-3-benzyl-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-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

1996-0176

Molecular Formula

C23H20N2OS2 (C23 H20 N2 OS2)

Compound Name

(5Z)-3-benzyl-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-benzyl-5-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc1cc(/C=C(/C(N2Cc3ccccc3)=O)\SC2=S)c(C)n1-c1ccccc1

InChI

InChI=1S/C23H20N2OS2/c1-16-13-19(17(2)25(16)20-11-7-4-8-12-20)14-21-22(26)24(23(27)28-21)15-18-9-5-3-6-10-18/h3-14H,15H2,1-2H3

InChI Key

LCRDUZVJATUUOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01207180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.208

Water Solubility, LogSw

-5.03

Polar Surface Area

19.107

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 1996-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0176?
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What is the minimum amount of 1996-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0176
  • 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 1996-0176 available by request