1682-6735 Screening compound: prop-2-en-1-yl 4-{4-oxo-5-[(5E)-4-oxo-3-[4-oxo-4-(prop-2-en-1-yloxy)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoate

1682-6735 Screening compound: prop-2-en-1-yl 4-{4-oxo-5-[(5E)-4-oxo-3-[4-oxo-4-(prop-2-en-1-yloxy)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoate
1682-6735 Screening compound: prop-2-en-1-yl 4-{4-oxo-5-[(5E)-4-oxo-3-[4-oxo-4-(prop-2-en-1-yloxy)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6735
prop-2-en-1-yl 4-{4-oxo-5-[(5E)-4-oxo-3-[4-oxo-4-(prop-2-en-1-yloxy)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoate

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

1682-6735

Molecular Formula

C20H22N2O6S4 (C20 H22 N2 O6 S4)

Compound Name

prop-2-en-1-yl 4-{4-oxo-5-[(5E)-4-oxo-3-[4-oxo-4-(prop-2-en-1-yloxy)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}butanoate

IUPAC name

prop-2-en-1-yl 4-{4-oxo-5-[(5E)-4-oxo-3-[4-oxo-4-(prop-2-en-1-yloxy)butyl]-2-sulfanylidene-13-thiazolidin-5-ylidene]-2-sulfanylidene-13-thiazolidin-3-yl}butanoate

SMILES

C=CCOC(CCCN(C(/C(/S1)=C(/C(N2CCCC(OCC=C)=O)=O)\SC2=S)=O)C1=S)=O

InChI

InChI=1S/C20H22N2O6S4/c1-3-11-27-13(23)7-5-9-21-17(25)15(31-19(21)29)16-18(26)22(20(30)32-16)10-6-8-14(24)28-12-4-2/h3-4H,1-2,5-12H2

InChI Key

PAOCSQBWXIUQIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00326173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.67

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.33

Polar Surface Area

74.323

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 1682-6735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6735?
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What is the minimum amount of 1682-6735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6735
  • 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 1682-6735 available by request