4340-0569 Screening compound: 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-[(5Z)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]propanoate

4340-0569 Screening compound: 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-[(5Z)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]propanoate
4340-0569 Screening compound: 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-[(5Z)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0569
4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-[(5Z)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]propanoate

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

4340-0569

Molecular Formula

C25H17NO6S4 (C25 H17 NO6 S4)

Compound Name

4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-[(5Z)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]propanoate

IUPAC name

4-(4-methoxyphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 3-[(5Z)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-13-thiazolidin-3-yl]propanoate

SMILES

COc(cc1)ccc1-c(c(S1)c(cc2)OC1=O)c2OC(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)=O

InChI

InChI=1S/C25H17NO6S4/c1-30-15-6-4-14(5-7-15)21-17(8-9-18-22(21)36-25(29)32-18)31-20(27)10-11-26-23(28)19(35-24(26)33)13-16-3-2-12-34-16/h2-9,12-13H,10-11H2,1H3

InChI Key

CXMHFVXIIMOPJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-4.69

Polar Surface Area

66.925

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 4340-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0569?
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What is the minimum amount of 4340-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0569
  • 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 4340-0569 available by request