2595-0090 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3,5-dichlorophenyl)propanamide

2595-0090 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3,5-dichlorophenyl)propanamide
2595-0090 Screening compound: 3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3,5-dichlorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-0090
3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3,5-dichlorophenyl)propanamide

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

2595-0090

Molecular Formula

C20H14Cl2N2O4S2 (C20 H14 Cl2 N2 O4 S2)

Compound Name

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

IUPAC name

3-[(5Z)-5-[(2H-13-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(35-dichlorophenyl)propanamide

SMILES

O=C(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)Nc1cc(Cl)cc(Cl)c1

InChI

InChI=1S/C20H14Cl2N2O4S2/c21-12-7-13(22)9-14(8-12)23-18(25)3-4-24-19(26)17(30-20(24)29)6-11-1-2-15-16(5-11)28-10-27-15/h1-2,5-9H,3-4,10H2,(H,23,25)

InChI Key

KJQFKRXRKQUOFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-6.01

Polar Surface Area

56.686

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 2595-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-0090?
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What is the minimum amount of 2595-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-0090
  • 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 2595-0090 available by request