1464-0064 Screening compound: 2-[(5E)-5-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

1464-0064 Screening compound: 2-[(5E)-5-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
1464-0064 Screening compound: 2-[(5E)-5-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1464-0064
2-[(5E)-5-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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

1464-0064

Molecular Formula

C21H19NO5S2 (C21 H19 NO5 S2)

Compound Name

2-[(5E)-5-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-{[4-(benzyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

CCOc(cc(/C=C(\C(N1CC(O)=O)=O)/SC1=S)cc1)c1OCc1ccccc1

InChI

InChI=1S/C21H19NO5S2/c1-2-26-17-10-15(8-9-16(17)27-13-14-6-4-3-5-7-14)11-18-20(25)22(12-19(23)24)21(28)29-18/h3-11H,2,12-13H2,1H3,(H,23,24)

InChI Key

LGVVQGLKSKDKPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01005849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.531

Distribution Coefficient, logD

-0.588

Water Solubility, LogSw

-2.65

Polar Surface Area

59.622

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1464-0064 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1464-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1464-0064?
Check Price and Availability of 1464-0064, 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 1464-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1464-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1464-0064
  • 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 1464-0064 available by request