1588-0252 Screening compound: (5E)-5-[(4-bromophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

1588-0252 Screening compound: (5E)-5-[(4-bromophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
1588-0252 Screening compound: (5E)-5-[(4-bromophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0252
(5E)-5-[(4-bromophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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

1588-0252

Molecular Formula

C17H12BrNO2S2 (C17 H12 BrNO2 S2)

Compound Name

(5E)-5-[(4-bromophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(4-bromophenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1N(C(/C(/S1)=C\c(cc2)ccc2Br)=O)C1=S

InChI

InChI=1S/C17H12BrNO2S2/c1-21-14-8-6-13(7-9-14)19-16(20)15(23-17(19)22)10-11-2-4-12(18)5-3-11/h2-10H,1H3

InChI Key

CQVFXLFXXKUFKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00547576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.63

Polar Surface Area

23.375

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1588-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0252?
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What is the minimum amount of 1588-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0252
  • 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 1588-0252 available by request