5648-3120 Screening compound: (5Z)-5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

5648-3120 Screening compound: (5Z)-5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
5648-3120 Screening compound: (5Z)-5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-3120
(5Z)-5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

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

5648-3120

Molecular Formula

C19H15NO5S (C19 H15 NO5 S)

Compound Name

(5Z)-5-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-5-[(6-methoxy-2H-13-benzodioxol-5-yl)methylidene]-3-(4-methylphenyl)-13-thiazolidine-24-dione

SMILES

Cc(cc1)ccc1N(C(/C(/S1)=C/c(cc2OCOc2c2)c2OC)=O)C1=O

InChI

InChI=1S/C19H15NO5S/c1-11-3-5-13(6-4-11)20-18(21)17(26-19(20)22)8-12-7-15-16(25-10-24-15)9-14(12)23-2/h3-9H,10H2,1-2H3

InChI Key

VMGXWFIMLZUOGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03271192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.01

Polar Surface Area

53.730

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 5648-3120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-3120?
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What is the minimum amount of 5648-3120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-3120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-3120
  • 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 5648-3120 available by request