3229-0216 Screening compound: (5E)-5-[(2-bromophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3229-0216 Screening compound: (5E)-5-[(2-bromophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
3229-0216 Screening compound: (5E)-5-[(2-bromophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0216
(5E)-5-[(2-bromophenyl)methylidene]-3-(prop-2-en-1-yl)-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

3229-0216

Molecular Formula

C13H10BrNOS2 (C13 H10 BrNOS2)

Compound Name

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

IUPAC name

(5E)-5-[(2-bromophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C=CCN(C(/C(/S1)=C\c(cccc2)c2Br)=O)C1=S

InChI

InChI=1S/C13H10BrNOS2/c1-2-7-15-12(16)11(18-13(15)17)8-9-5-3-4-6-10(9)14/h2-6,8H,1,7H2

InChI Key

KAYNKBFVYGUWEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00654850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-4.26

Polar Surface Area

16.692

Acid Dissociation Constant (pKa)

33.62

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 3229-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0216?
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What is the minimum amount of 3229-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0216
  • 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 3229-0216 available by request