1988-0280 Screening compound: 3-[(2Z,5Z)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

1988-0280 Screening compound: 3-[(2Z,5Z)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
1988-0280 Screening compound: 3-[(2Z,5Z)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0280
3-[(2Z,5Z)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-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

1988-0280

Molecular Formula

C25H19N3O2S (C25 H19 N3 O2 S)

Compound Name

3-[(2Z,5Z)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(2Z5Z)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-4-oxo-13-thiazolidin-5-ylidene]-23-dihydro-1H-indol-2-one

SMILES

Cc1cccc(N(C(/C(/S2)=C(\c(cccc3)c3N3)/C3=O)=O)/C2=N/c2cc(C)ccc2)c1

InChI

InChI=1S/C25H19N3O2S/c1-15-7-5-9-17(13-15)26-25-28(18-10-6-8-16(2)14-18)24(30)22(31-25)21-19-11-3-4-12-20(19)27-23(21)29/h3-14H,1-2H3,(H,27,29)

InChI Key

SQTBLSXUCCSCNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01026765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-5.42

Polar Surface Area

49.496

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

1988-0280 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1988-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0280
  • 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 1988-0280 available by request