4482-4131 Screening compound: (5E)-3-cyclohexyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4482-4131 Screening compound: (5E)-3-cyclohexyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4482-4131 Screening compound: (5E)-3-cyclohexyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4482-4131
(5E)-3-cyclohexyl-5-[(3-hydroxyphenyl)methylidene]-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

4482-4131

Molecular Formula

C16H17NO2S2 (C16 H17 NO2 S2)

Compound Name

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

IUPAC name

(5E)-3-cyclohexyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Oc1cccc(/C=C(\C(N2C3CCCCC3)=O)/SC2=S)c1

InChI

InChI=1S/C16H17NO2S2/c18-13-8-4-5-11(9-13)10-14-15(19)17(16(20)21-14)12-6-2-1-3-7-12/h4-5,8-10,12,18H,1-3,6-7H2

InChI Key

KFLMWXXXDWJDCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02914631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-3.81

Polar Surface Area

33.281

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4482-4131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4482-4131?
Check Price and Availability of 4482-4131, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4482-4131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4482-4131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4482-4131
  • 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 4482-4131 available by request