1588-0346 Screening compound: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

1588-0346 Screening compound: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
1588-0346 Screening compound: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0346
(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-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

1588-0346

Molecular Formula

C13H12N2O5S2 (C13 H12 N2 O5 S2)

Compound Name

(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-methyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCOc1cc([N+]([O-])=O)cc(/C=C(\C(N2C)=O)/SC2=S)c1O

InChI

InChI=1S/C13H12N2O5S2/c1-3-20-9-6-8(15(18)19)4-7(11(9)16)5-10-12(17)14(2)13(21)22-10/h4-6,16H,3H2,1-2H3

InChI Key

RGCITLDCUZLGJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01233938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

0.979

Water Solubility, LogSw

-2.80

Polar Surface Area

72.551

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1588-0346 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 1588-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0346?
Check Price and Availability of 1588-0346, 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 1588-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0346
  • 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 1588-0346 available by request