2189-0454 Screening compound: 2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

2189-0454 Screening compound: 2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
2189-0454 Screening compound: 2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-0454
2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

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

2189-0454

Molecular Formula

C20H26N2O3S2 (C20 H26 N2 O3 S2)

Compound Name

2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

IUPAC name

2-(dimethylamino)ethyl 6-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-3-yl]hexanoate

SMILES

CN(C)CCOC(CCCCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)=O

InChI

InChI=1S/C20H26N2O3S2/c1-21(2)13-14-25-18(23)11-7-4-8-12-22-19(24)17(27-20(22)26)15-16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3

InChI Key

GVLPAVCBDSGXBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00841340

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

406.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

1.903

Water Solubility, LogSw

-3.50

Polar Surface Area

41.011

Acid Dissociation Constant (pKa)

24.09

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with 2189-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-0454?
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What is the minimum amount of 2189-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-0454
  • 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 2189-0454 available by request