3453-0307 Screening compound: 3-{2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamido}benzoic acid

3453-0307 Screening compound: 3-{2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamido}benzoic acid
3453-0307 Screening compound: 3-{2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0307
3-{2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamido}benzoic 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

3453-0307

Molecular Formula

C22H20N2O7S2 (C22 H20 N2 O7 S2)

Compound Name

3-{2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamido}benzoic acid

IUPAC name

3-{2-[(5Z)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]acetamido}benzoic acid

SMILES

COc1cc(/C=C(/C(N2CC(Nc3cc(C(O)=O)ccc3)=O)=O)\SC2=S)cc(OC)c1OC

InChI

InChI=1S/C22H20N2O7S2/c1-29-15-7-12(8-16(30-2)19(15)31-3)9-17-20(26)24(22(32)33-17)11-18(25)23-14-6-4-5-13(10-14)21(27)28/h4-10H,11H2,1-3H3,(H,23,25)(H,27,28)

InChI Key

OVCXPCJGAOXUKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

0.802

Water Solubility, LogSw

-4.09

Polar Surface Area

90.978

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3453-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0307?
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What is the minimum amount of 3453-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0307
  • 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 3453-0307 available by request