2279-3516 Screening compound: 6-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

2279-3516 Screening compound: 6-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
2279-3516 Screening compound: 6-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-3516
6-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic 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

2279-3516

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

6-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

OC(CCCCCN(C(/C(/S1)=C/c2c[nH]c3c2cccc3)=O)C1=S)=O

InChI

InChI=1S/C18H18N2O3S2/c21-16(22)8-2-1-5-9-20-17(23)15(25-18(20)24)10-12-11-19-14-7-4-3-6-13(12)14/h3-4,6-7,10-11,19H,1-2,5,8-9H2,(H,21,22)

InChI Key

FEMGBXUNOYSLPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01455460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

0.442

Water Solubility, LogSw

-3.32

Polar Surface Area

54.947

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

2279-3516 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 2279-3516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-3516?
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What is the minimum amount of 2279-3516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-3516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-3516
  • 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 2279-3516 available by request