0806-0278 Screening compound: 2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

0806-0278 Screening compound: 2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
0806-0278 Screening compound: 2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0278
2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

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

0806-0278

Molecular Formula

C14H11NO3S2 (C14 H11 NO3 S2)

Compound Name

2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

IUPAC name

2-{[(5E)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}benzoic acid

SMILES

C=CCN(C(/C(/S1)=C\c(cccc2)c2C(O)=O)=O)C1=S

InChI

InChI=1S/C14H11NO3S2/c1-2-7-15-12(16)11(20-14(15)19)8-9-5-3-4-6-10(9)13(17)18/h2-6,8H,1,7H2,(H,17,18)

InChI Key

JJVLYLWJPLEWPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

-0.658

Water Solubility, LogSw

-3.36

Polar Surface Area

45.100

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 0806-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0278?
Check Price and Availability of 0806-0278, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0806-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0278
  • 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 0806-0278 available by request