8004-8435 Screening compound: 2-(3,4-dimethylphenyl)-4-{[3-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)anilino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one

8004-8435 Screening compound: 2-(3,4-dimethylphenyl)-4-{[3-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)anilino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
8004-8435 Screening compound: 2-(3,4-dimethylphenyl)-4-{[3-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)anilino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8435
2-(3,4-dimethylphenyl)-4-{[3-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)anilino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-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

8004-8435

Molecular Formula

C32H32N6O2 (C32 H32 N6 O2)

Compound Name

2-(3,4-dimethylphenyl)-4-{[3-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)anilino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

1-(34-dimethylphenyl)-4-({[3-({[1-(34-dimethylphenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}amino)phenyl]amino}methylidene)-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(C(C1=O)=CNc2cccc(NC=C(C(C)=NN3c4cc(C)c(C)cc4)C3=O)c2)=NN1c1cc(C)c(C)cc1

InChI

InChI=1S/C32H32N6O2/c1-19-10-12-27(14-21(19)3)37-31(39)29(23(5)35-37)17-33-25-8-7-9-26(16-25)34-18-30-24(6)36-38(32(30)40)28-13-11-20(2)22(4)15-28/h7-18,33-34H,1-6H3

InChI Key

DVKHSXJEOVWDGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.391

Distribution Coefficient, logD

6.387

Water Solubility, LogSw

-5.66

Polar Surface Area

74.137

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 8004-8435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8435?
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What is the minimum amount of 8004-8435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8435
  • 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 8004-8435 available by request