2595-0069 Screening compound: 6-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylhexanamide

2595-0069 Screening compound: 6-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylhexanamide
2595-0069 Screening compound: 6-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-0069
6-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylhexanamide

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

2595-0069

Molecular Formula

C23H22N2O4S2 (C23 H22 N2 O4 S2)

Compound Name

6-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylhexanamide

IUPAC name

6-[(5Z)-5-[(2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-phenylhexanamide

SMILES

O=C(CCCCCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)Nc1ccccc1

InChI

InChI=1S/C23H22N2O4S2/c26-21(24-17-7-3-1-4-8-17)9-5-2-6-12-25-22(27)20(31-23(25)30)14-16-10-11-18-19(13-16)29-15-28-18/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12,15H2,(H,24,26)

InChI Key

DMXPHDFLFGNAQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.313

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.23

Polar Surface Area

56.686

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 2595-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-0069?
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What is the minimum amount of 2595-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-0069
  • 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 2595-0069 available by request