2798-2141 Screening compound: 3-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

2798-2141 Screening compound: 3-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
2798-2141 Screening compound: 3-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-2141
3-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic 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

2798-2141

Molecular Formula

C19H23NO5S2 (C19 H23 NO5 S2)

Compound Name

3-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5Z)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

CCCCCOc(ccc(/C=C(/C(N1CCC(O)=O)=O)\SC1=S)c1)c1OC

InChI

InChI=1S/C19H23NO5S2/c1-3-4-5-10-25-14-7-6-13(11-15(14)24-2)12-16-18(23)20(19(26)27-16)9-8-17(21)22/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,21,22)

InChI Key

XJFZYIFEKWGTPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

0.771

Water Solubility, LogSw

-3.38

Polar Surface Area

60.211

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

2798-2141 in Drug Discovery

Included in Screening Libraries

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 2798-2141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-2141?
Check Price and Availability of 2798-2141, 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 2798-2141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-2141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-2141
  • 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 2798-2141 available by request