3241-0277 Screening compound: ethyl 2-{[2-(2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate

3241-0277 Screening compound: ethyl 2-{[2-(2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate
3241-0277 Screening compound: ethyl 2-{[2-(2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3241-0277
ethyl 2-{[2-(2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}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

3241-0277

Molecular Formula

C20H23NO5S3 (C20 H23 NO5 S3)

Compound Name

ethyl 2-{[2-(2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate

IUPAC name

ethyl 2-{[2-(2-methoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenoxy)ethyl]sulfanyl}acetate

SMILES

CCOC(CSCCOc(ccc(/C=C(/C(N1CC=C)=O)\SC1=S)c1)c1OC)=O

InChI

InChI=1S/C20H23NO5S3/c1-4-8-21-19(23)17(29-20(21)27)12-14-6-7-15(16(11-14)24-3)26-9-10-28-13-18(22)25-5-2/h4,6-7,11-12H,1,5,8-10,13H2,2-3H3

InChI Key

HNNPBRVNTZBRSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.78

Polar Surface Area

51.986

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 3241-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3241-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3241-0277
  • 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 3241-0277 available by request