3453-1615 Screening compound: methyl 2-[(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

3453-1615 Screening compound: methyl 2-[(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
3453-1615 Screening compound: methyl 2-[(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1615
methyl 2-[(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

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

3453-1615

Molecular Formula

C21H19NO5S2 (C21 H19 NO5 S2)

Compound Name

methyl 2-[(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate

IUPAC name

methyl 2-[(5Z)-5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetate

SMILES

COC(CN(C(/C(/S1)=C/c(cc2)cc(OC)c2OCc2ccccc2)=O)C1=S)=O

InChI

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

InChI Key

UGKOVWNHAHBMNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.81

Polar Surface Area

52.237

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3453-1615 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3453-1615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1615?
Check Price and Availability of 3453-1615, 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 3453-1615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1615
  • 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 3453-1615 available by request