3067-0103 Screening compound: 2-[(5E)-5-{[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3067-0103 Screening compound: 2-[(5E)-5-{[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3067-0103 Screening compound: 2-[(5E)-5-{[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3067-0103
2-[(5E)-5-{[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

3067-0103

Molecular Formula

C18H13NO7S2 (C18 H13 NO7 S2)

Compound Name

2-[(5E)-5-{[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-{[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

COc(cc(/C=C(\C(N1CC(O)=O)=O)/SC1=S)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C18H13NO7S2/c1-24-13-7-10(4-5-11(13)26-17(23)12-3-2-6-25-12)8-14-16(22)19(9-15(20)21)18(27)28-14/h2-8H,9H2,1H3,(H,20,21)

InChI Key

OEVSYBVLOAMVAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00851574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

-1.689

Water Solubility, LogSw

-2.21

Polar Surface Area

81.771

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3067-0103 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3067-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3067-0103?
Check Price and Availability of 3067-0103, 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 3067-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3067-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3067-0103
  • 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 3067-0103 available by request