1682-9669 Screening compound: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid

1682-9669 Screening compound: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
1682-9669 Screening compound: 2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9669
2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic 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

1682-9669

Molecular Formula

C16H17NO4S2 (C16 H17 NO4 S2)

Compound Name

2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid

IUPAC name

2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)N(C(/C(/S1)=C/c(cccc2)c2OC)=O)C1=S

InChI

InChI=1S/C16H17NO4S2/c1-9(2)13(15(19)20)17-14(18)12(23-16(17)22)8-10-6-4-5-7-11(10)21-3/h4-9,13H,1-3H3,(H,19,20)/t13-/m0/s1

InChI Key

RLXXJLGITYTWFS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00710960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

0.337

Water Solubility, LogSw

-3.34

Polar Surface Area

51.714

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

1682-9669 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1682-9669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9669?
Check Price and Availability of 1682-9669, 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 1682-9669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9669
  • 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 1682-9669 available by request