3793-4710 Screening compound: ethyl 4-{3-[(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoate

3793-4710 Screening compound: ethyl 4-{3-[(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoate
3793-4710 Screening compound: ethyl 4-{3-[(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-4710
ethyl 4-{3-[(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}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

3793-4710

Molecular Formula

C25H24N2O4S2 (C25 H24 N2 O4 S2)

Compound Name

ethyl 4-{3-[(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoate

IUPAC name

ethyl 4-{3-[(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCN(C(/C(/S1)=C\C(\C)=C\c2ccccc2)=O)C1=S)=O)=O

InChI

InChI=1S/C25H24N2O4S2/c1-3-31-24(30)19-9-11-20(12-10-19)26-22(28)13-14-27-23(29)21(33-25(27)32)16-17(2)15-18-7-5-4-6-8-18/h4-12,15-16H,3,13-14H2,1-2H3,(H,26,28)

InChI Key

NFLKWFDEPAPYKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02365110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.556

Water Solubility, LogSw

-5.47

Polar Surface Area

60.324

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3793-4710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-4710?
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What is the minimum amount of 3793-4710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-4710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-4710
  • 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 3793-4710 available by request