2044-5247 Screening compound: (5Z)-5-[(4-nitrophenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

2044-5247 Screening compound: (5Z)-5-[(4-nitrophenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
2044-5247 Screening compound: (5Z)-5-[(4-nitrophenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-5247
(5Z)-5-[(4-nitrophenyl)methylidene]-3-(2-phenylethyl)-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

2044-5247

Molecular Formula

C18H14N2O3S2 (C18 H14 N2 O3 S2)

Compound Name

(5Z)-5-[(4-nitrophenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[(4-nitrophenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

[O-][N+](c1ccc(/C=C(/C(N2CCc3ccccc3)=O)\SC2=S)cc1)=O

InChI

InChI=1S/C18H14N2O3S2/c21-17-16(12-14-6-8-15(9-7-14)20(22)23)25-18(24)19(17)11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2

InChI Key

XGQCTTAIFOXQEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00749751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.43

Polar Surface Area

49.802

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2044-5247 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2044-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-5247?
Check Price and Availability of 2044-5247, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2044-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-5247
  • 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 2044-5247 available by request