4476-2362 Screening compound: 4-methyl-N-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

4476-2362 Screening compound: 4-methyl-N-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
4476-2362 Screening compound: 4-methyl-N-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-2362
4-methyl-N-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

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

4476-2362

Molecular Formula

C28H22N4O2S2 (C28 H22 N4 O2 S2)

Compound Name

4-methyl-N-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

IUPAC name

4-methyl-N-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzamide

SMILES

Cc(cc1)ccc1C(NN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)=O)C1=S)=O

InChI

InChI=1S/C28H22N4O2S2/c1-18-8-12-20(13-9-18)25-22(17-31(29-25)23-6-4-3-5-7-23)16-24-27(34)32(28(35)36-24)30-26(33)21-14-10-19(2)11-15-21/h3-17H,1-2H3,(H,30,33)

InChI Key

VOBYEOAVBQKBFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.620

Distribution Coefficient, logD

5.588

Water Solubility, LogSw

-5.50

Polar Surface Area

57.476

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 4476-2362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-2362?
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What is the minimum amount of 4476-2362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-2362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-2362
  • 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 4476-2362 available by request