3128-9279 Screening compound: ethyl 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

3128-9279 Screening compound: ethyl 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate
3128-9279 Screening compound: ethyl 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3128-9279
ethyl 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

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

3128-9279

Molecular Formula

C17H13NO4S2 (C17 H13 NO4 S2)

Compound Name

ethyl 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/C(N2)=O)\SC2=S)o1)=O

InChI

InChI=1S/C17H13NO4S2/c1-2-21-16(20)11-5-3-10(4-6-11)13-8-7-12(22-13)9-14-15(19)18-17(23)24-14/h3-9H,2H2,1H3,(H,18,19,23)

InChI Key

QUFNJDIJEMMFQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-3.74

Polar Surface Area

53.224

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 3128-9279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3128-9279?
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What is the minimum amount of 3128-9279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3128-9279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3128-9279
  • 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 3128-9279 available by request