4491-1954 Screening compound: (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one

4491-1954 Screening compound: (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
4491-1954 Screening compound: (5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1954
(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-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

4491-1954

Molecular Formula

C25H18N2O2S3 (C25 H18 N2 O2 S3)

Compound Name

(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[(4-methylphenyl)methylidene]-3-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc1ccc(/C=C(/C(N2CC(N3c(cccc4)c4Sc4c3cccc4)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C25H18N2O2S3/c1-16-10-12-17(13-11-16)14-22-24(29)26(25(30)32-22)15-23(28)27-18-6-2-4-8-20(18)31-21-9-5-3-7-19(21)27/h2-14H,15H2,1H3

InChI Key

NVHKPQHBCKPTTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.505

Water Solubility, LogSw

-5.42

Polar Surface Area

29.818

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 4491-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1954?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1954
  • 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 4491-1954 available by request