2279-3529 Screening compound: 4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid

2279-3529 Screening compound: 4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid
2279-3529 Screening compound: 4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-3529
4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic 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

2279-3529

Molecular Formula

C17H19NO6S2 (C17 H19 NO6 S2)

Compound Name

4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid

IUPAC name

4-[(5Z)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]butanoic acid

SMILES

COc1cc(/C=C(/C(N2CCCC(O)=O)=O)\SC2=S)cc(OC)c1OC

InChI

InChI=1S/C17H19NO6S2/c1-22-11-7-10(8-12(23-2)15(11)24-3)9-13-16(21)18(17(25)26-13)6-4-5-14(19)20/h7-9H,4-6H2,1-3H3,(H,19,20)

InChI Key

QLCIOGTYGQXGSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01472235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

-1.052

Water Solubility, LogSw

-2.15

Polar Surface Area

68.054

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 2279-3529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-3529?
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What is the minimum amount of 2279-3529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-3529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-3529
  • 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 2279-3529 available by request