2101-0088 Screening compound: 2-{5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid

2101-0088 Screening compound: 2-{5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
2101-0088 Screening compound: 2-{5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2101-0088
2-{5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-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

2101-0088

Molecular Formula

C16H14N2O3S2 (C16 H14 N2 O3 S2)

Compound Name

2-{5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid

IUPAC name

2-{5-[(2E)-1-ethyl-12-dihydroquinolin-2-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}acetic acid

SMILES

CCN1c(cccc2)c2C=C/C1=C(/C(N1CC(O)=O)=O)\SC1=S

InChI

InChI=1S/C16H14N2O3S2/c1-2-17-11-6-4-3-5-10(11)7-8-12(17)14-15(21)18(9-13(19)20)16(22)23-14/h3-8H,2,9H2,1H3,(H,19,20)

InChI Key

GQDXQDWDWXXKQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00396977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

-1.142

Water Solubility, LogSw

-2.36

Polar Surface Area

48.863

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 2101-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2101-0088?
Check Price and Availability of 2101-0088, 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 2101-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2101-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2101-0088
  • 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 2101-0088 available by request