2389-1624 Screening compound: methyl 4-{[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate

2389-1624 Screening compound: methyl 4-{[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate
2389-1624 Screening compound: methyl 4-{[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-1624
methyl 4-{[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate

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

2389-1624

Molecular Formula

C20H17NO4S2 (C20 H17 NO4 S2)

Compound Name

methyl 4-{[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}benzoate

SMILES

CCOc(cc1)ccc1N(C(/C(/S1)=C/c(cc2)ccc2C(OC)=O)=O)C1=S

InChI

InChI=1S/C20H17NO4S2/c1-3-25-16-10-8-15(9-11-16)21-18(22)17(27-20(21)26)12-13-4-6-14(7-5-13)19(23)24-2/h4-12H,3H2,1-2H3

InChI Key

VYKWITRGFQETQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01464924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.24

Polar Surface Area

44.128

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 2389-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2389-1624?
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What is the minimum amount of 2389-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2389-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-1624
  • 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 2389-1624 available by request