1988-0287 Screening compound: 5-bromo-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one

1988-0287 Screening compound: 5-bromo-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-2-one
1988-0287 Screening compound: 5-bromo-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-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 1988-0287
5-bromo-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-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

1988-0287

Molecular Formula

C25H18BrN3O2S (C25 H18 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(/C(/S1)=C(\c(cc(cc2)Br)c2N2)/C2=O)=O)/C1=N/c1ccc(C)cc1

InChI

InChI=1S/C25H18BrN3O2S/c1-14-3-8-17(9-4-14)27-25-29(18-10-5-15(2)6-11-18)24(31)22(32-25)21-19-13-16(26)7-12-20(19)28-23(21)30/h3-13H,1-2H3,(H,28,30)

InChI Key

FGYWOXOOGUNVHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01026772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.41

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

5.987

Distribution Coefficient, logD

5.979

Water Solubility, LogSw

-5.47

Polar Surface Area

49.496

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-9.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

1988-0287 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 1988-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0287
  • 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 1988-0287 available by request