4356-1829 Screening compound: ethyl 4-{2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate

4356-1829 Screening compound: ethyl 4-{2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate
4356-1829 Screening compound: ethyl 4-{2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4356-1829
ethyl 4-{2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate

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

4356-1829

Molecular Formula

C21H25N3O4S2 (C21 H25 N3 O4 S2)

Compound Name

ethyl 4-{2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate

SMILES

CCc1ccc(/C=C(/C(N2CC(N(CC3)CCN3C(OCC)=O)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C21H25N3O4S2/c1-3-15-5-7-16(8-6-15)13-17-19(26)24(21(29)30-17)14-18(25)22-9-11-23(12-10-22)20(27)28-4-2/h5-8,13H,3-4,9-12,14H2,1-2H3

InChI Key

DBZFHXGRXOERPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02351838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.20

Polar Surface Area

55.615

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4356-1829 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 4356-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4356-1829?
Check Price and Availability of 4356-1829, 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 4356-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4356-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4356-1829
  • 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 4356-1829 available by request