3649-0080 Screening compound: 2-[(5E)-5-({5-[2-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3649-0080 Screening compound: 2-[(5E)-5-({5-[2-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3649-0080 Screening compound: 2-[(5E)-5-({5-[2-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3649-0080
2-[(5E)-5-({5-[2-(methoxycarbonyl)phenyl]furan-2-yl}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

3649-0080

Molecular Formula

C18H13NO6S2 (C18 H13 NO6 S2)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cccc1)c1-c1ccc(/C=C(\C(N2CC(O)=O)=O)/SC2=S)o1)=O

InChI

InChI=1S/C18H13NO6S2/c1-24-17(23)12-5-3-2-4-11(12)13-7-6-10(25-13)8-14-16(22)19(9-15(20)21)18(26)27-14/h2-8H,9H2,1H3,(H,20,21)

InChI Key

KMRPRKIJVWXNSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.079

Distribution Coefficient, logD

-1.040

Water Solubility, LogSw

-2.72

Polar Surface Area

73.841

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3649-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3649-0080?
Check Price and Availability of 3649-0080, 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 3649-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3649-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3649-0080
  • 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 3649-0080 available by request