3584-0098 Screening compound: (5E)-5-{[5-chloro-2-(prop-2-en-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0098 Screening compound: (5E)-5-{[5-chloro-2-(prop-2-en-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0098 Screening compound: (5E)-5-{[5-chloro-2-(prop-2-en-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0098
(5E)-5-{[5-chloro-2-(prop-2-en-1-yloxy)phenyl]methylidene}-3-ethyl-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

3584-0098

Molecular Formula

C15H14ClNO2S2 (C15 H14 ClNO2 S2)

Compound Name

(5E)-5-{[5-chloro-2-(prop-2-en-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[5-chloro-2-(prop-2-en-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C\c(cc(cc2)Cl)c2OCC=C)=O)C1=S

InChI

InChI=1S/C15H14ClNO2S2/c1-3-7-19-12-6-5-11(16)8-10(12)9-13-14(18)17(4-2)15(20)21-13/h3,5-6,8-9H,1,4,7H2,2H3

InChI Key

QXWGQVOUAWFYIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.75

Polar Surface Area

23.943

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3584-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0098?
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What is the minimum amount of 3584-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0098
  • 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 3584-0098 available by request