3229-1816 Screening compound: 4-{[(5E)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

3229-1816 Screening compound: 4-{[(5E)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate
3229-1816 Screening compound: 4-{[(5E)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1816
4-{[(5E)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

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

3229-1816

Molecular Formula

C23H19Cl2NO3S2 (C23 H19 Cl2 NO3 S2)

Compound Name

4-{[(5E)-3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2,4-dichlorobenzoate

IUPAC name

4-{[(5E)-3-cyclohexyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 24-dichlorobenzoate

SMILES

O=C(c(ccc(Cl)c1)c1Cl)Oc1ccc(/C=C(\C(N2C3CCCCC3)=O)/SC2=S)cc1

InChI

InChI=1S/C23H19Cl2NO3S2/c24-15-8-11-18(19(25)13-15)22(28)29-17-9-6-14(7-10-17)12-20-21(27)26(23(30)31-20)16-4-2-1-3-5-16/h6-13,16H,1-5H2

InChI Key

RAWXSUYBNOVUJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.014

Distribution Coefficient, logD

7.014

Water Solubility, LogSw

-6.76

Polar Surface Area

36.042

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 3229-1816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1816?
Check Price and Availability of 3229-1816, 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 3229-1816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1816
  • 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 3229-1816 available by request