2049-2137 Screening compound: 1-methyl-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one

2049-2137 Screening compound: 1-methyl-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one
2049-2137 Screening compound: 1-methyl-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-5-nitro-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2049-2137
1-methyl-3-[(2Z,5Z)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-5-nitro-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

2049-2137

Molecular Formula

C26H20N4O4S (C26 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(/C(/S1)=C(\c(cc(cc2)[N+]([O-])=O)c2N2C)/C2=O)=O)/C1=N/c1ccc(C)cc1

InChI

InChI=1S/C26H20N4O4S/c1-15-4-8-17(9-5-15)27-26-29(18-10-6-16(2)7-11-18)25(32)23(35-26)22-20-14-19(30(33)34)12-13-21(20)28(3)24(22)31/h4-14H,1-3H3

InChI Key

YIVZOTBPVAFHGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

4.916

Water Solubility, LogSw

-4.71

Polar Surface Area

73.140

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 2049-2137 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2049-2137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2049-2137
  • 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 2049-2137 available by request