4896-4016 Screening compound: 3-[(2Z,5Z)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1,5-dimethyl-2,3-dihydro-1H-indol-2-one

4896-4016 Screening compound: 3-[(2Z,5Z)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1,5-dimethyl-2,3-dihydro-1H-indol-2-one
4896-4016 Screening compound: 3-[(2Z,5Z)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1,5-dimethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4016
3-[(2Z,5Z)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1,5-dimethyl-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

4896-4016

Molecular Formula

C19H14ClN3O2S (C19 H14 ClN3 O2 S)

Compound Name

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

IUPAC name

3-[(2Z5Z)-2-[(4-chlorophenyl)imino]-4-oxo-13-thiazolidin-5-ylidene]-15-dimethyl-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1)cc(/C2=C(\C(N3)=O)/S/C3=N\c(cc3)ccc3Cl)c1N(C)C2=O

InChI

InChI=1S/C19H14ClN3O2S/c1-10-3-8-14-13(9-10)15(18(25)23(14)2)16-17(24)22-19(26-16)21-12-6-4-11(20)5-7-12/h3-9H,1-2H3,(H,21,22,24)

InChI Key

BWSKHUYUOBLUOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.569

Water Solubility, LogSw

-4.03

Polar Surface Area

48.659

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

4896-4016 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4896-4016 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4896-4016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4016
  • 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 4896-4016 available by request