1588-0378 Screening compound: (5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

1588-0378 Screening compound: (5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
1588-0378 Screening compound: (5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0378
(5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-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

1588-0378

Molecular Formula

C17H10ClNO4S (C17 H10 ClNO4 S)

Compound Name

(5E)-5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-[(6-chloro-2H-13-benzodioxol-5-yl)methylidene]-3-phenyl-13-thiazolidine-24-dione

SMILES

O=C(/C(/SC1=O)=C\c(cc2OCOc2c2)c2Cl)N1c1ccccc1

InChI

InChI=1S/C17H10ClNO4S/c18-12-8-14-13(22-9-23-14)6-10(12)7-15-16(20)19(17(21)24-15)11-4-2-1-3-5-11/h1-8H,9H2

InChI Key

DDHDHNDVTXHFMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01233929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.43

Polar Surface Area

46.099

Acid Dissociation Constant (pKa)

37.69

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1588-0378 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1588-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0378?
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What is the minimum amount of 1588-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0378
  • 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 1588-0378 available by request