4489-1780 Screening compound: (5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

4489-1780 Screening compound: (5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
4489-1780 Screening compound: (5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-1780
(5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-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

4489-1780

Molecular Formula

C13H10N2O4S2 (C13 H10 N2 O4 S2)

Compound Name

(5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C=CCN(C(/C(/S1)=C\c(cccc2[N+]([O-])=O)c2O)=O)C1=S

InChI

InChI=1S/C13H10N2O4S2/c1-2-6-14-12(17)10(21-13(14)20)7-8-4-3-5-9(11(8)16)15(18)19/h2-5,7,16H,1,6H2

InChI Key

GBVNIERPTKVKGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-3.47

Polar Surface Area

65.252

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 4489-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-1780?
Check Price and Availability of 4489-1780, 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 4489-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-1780
  • 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 4489-1780 available by request