5617-0207 Screening compound: 3-[(2Z,5Z)-3-(2,3-dimethylphenyl)-2-[(2,3-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1-methyl-2,3-dihydro-1H-indol-2-one

5617-0207 Screening compound: 3-[(2Z,5Z)-3-(2,3-dimethylphenyl)-2-[(2,3-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1-methyl-2,3-dihydro-1H-indol-2-one
5617-0207 Screening compound: 3-[(2Z,5Z)-3-(2,3-dimethylphenyl)-2-[(2,3-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5617-0207
3-[(2Z,5Z)-3-(2,3-dimethylphenyl)-2-[(2,3-dimethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-1-methyl-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

5617-0207

Molecular Formula

C28H25N3O2S (C28 H25 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(/C(/S2)=C(\c(cccc3)c3N3C)/C3=O)=O)/C2=N/c2c(C)c(C)ccc2)c1C

InChI

InChI=1S/C28H25N3O2S/c1-16-10-8-13-21(18(16)3)29-28-31(22-15-9-11-17(2)19(22)4)27(33)25(34-28)24-20-12-6-7-14-23(20)30(5)26(24)32/h6-15H,1-5H3

InChI Key

VDZMVUHFRRWXNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.967

Distribution Coefficient, logD

5.967

Water Solubility, LogSw

-5.61

Polar Surface Area

38.760

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

5617-0207 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 5617-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5617-0207?
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What is the minimum amount of 5617-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5617-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5617-0207
  • 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 5617-0207 available by request