2279-0424 Screening compound: 3-[(5Z)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-pentyl-2,3-dihydro-1H-indol-2-one

2279-0424 Screening compound: 3-[(5Z)-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1-pentyl-2,3-dihydro-1H-indol-2-one
2279-0424 Screening compound: 3-[(5Z)-3-(2,5-dimethoxyphenyl)-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 2279-0424
3-[(5Z)-3-(2,5-dimethoxyphenyl)-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

2279-0424

Molecular Formula

C24H24N2O4S2 (C24 H24 N2 O4 S2)

Compound Name

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

IUPAC name

3-[(5Z)-3-(25-dimethoxyphenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]-1-pentyl-23-dihydro-1H-indol-2-one

SMILES

CCCCCN(c(cccc1)c1/C1=C(\C(N2c(cc(cc3)OC)c3OC)=O)/SC2=S)C1=O

InChI

InChI=1S/C24H24N2O4S2/c1-4-5-8-13-25-17-10-7-6-9-16(17)20(22(25)27)21-23(28)26(24(31)32-21)18-14-15(29-2)11-12-19(18)30-3/h6-7,9-12,14H,4-5,8,13H2,1-3H3

InChI Key

JCKZVYXOIQGYNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.13

Polar Surface Area

46.423

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

2279-0424 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2279-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-0424?
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What is the minimum amount of 2279-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-0424
  • 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 2279-0424 available by request