2279-0408 Screening compound: 3-[(5Z)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-pentyl-2,3-dihydro-1H-indol-2-one

2279-0408 Screening compound: 3-[(5Z)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-pentyl-2,3-dihydro-1H-indol-2-one
2279-0408 Screening compound: 3-[(5Z)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-pentyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-0408
3-[(5Z)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-pentyl-2,3-dihydro-1H-indol-2-one

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

2279-0408

Molecular Formula

C22H19ClN2O2S2 (C22 H19 ClN2 O2 S2)

Compound Name

3-[(5Z)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-pentyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(5Z)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-1-pentyl-23-dihydro-1H-indol-2-one

SMILES

CCCCCN(c(cccc1)c1/C1=C(\C(N2c3cccc(Cl)c3)=O)/SC2=S)C1=O

InChI

InChI=1S/C22H19ClN2O2S2/c1-2-3-6-12-24-17-11-5-4-10-16(17)18(20(24)26)19-21(27)25(22(28)29-19)15-9-7-8-14(23)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3

InChI Key

VCEAWZVQFRWFQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.757

Water Solubility, LogSw

-5.64

Polar Surface Area

31.549

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 2279-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-0408
  • 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 2279-0408 available by request