8003-3718 Screening compound: 3-methyl-4-((Z)-1-{4-[4-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)phenoxy]anilino}methylidene)-1-(4-methylphenyl)-1H-pyrazol-5-one

8003-3718 Screening compound: 3-methyl-4-((Z)-1-{4-[4-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)phenoxy]anilino}methylidene)-1-(4-methylphenyl)-1H-pyrazol-5-one
8003-3718 Screening compound: 3-methyl-4-((Z)-1-{4-[4-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)phenoxy]anilino}methylidene)-1-(4-methylphenyl)-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3718
3-methyl-4-((Z)-1-{4-[4-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)phenoxy]anilino}methylidene)-1-(4-methylphenyl)-1H-pyrazol-5-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

8003-3718

Molecular Formula

C36H32N6O3 (C36 H32 N6 O3)

Compound Name

3-methyl-4-((Z)-1-{4-[4-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)phenoxy]anilino}methylidene)-1-(4-methylphenyl)-1H-pyrazol-5-one

IUPAC name

(4E)-3-methyl-4-[({4-[4-({[(4Z)-3-methyl-1-(4-methylphenyl)-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}amino)phenoxy]phenyl}amino)methylidene]-1-(4-methylphenyl)-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\Nc(cc2)ccc2Oc(cc2)ccc2N/C=C(/C(C)=NN2c3ccc(C)cc3)\C2=O)=NN1c1ccc(C)cc1

InChI

InChI=1S/C36H32N6O3/c1-23-5-13-29(14-6-23)41-35(43)33(25(3)39-41)21-37-27-9-17-31(18-10-27)45-32-19-11-28(12-20-32)38-22-34-26(4)40-42(36(34)44)30-15-7-24(2)8-16-30/h5-22,37-38H,1-4H3

InChI Key

WVHVEYIKLDUFNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00697353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.919

Distribution Coefficient, logD

6.912

Water Solubility, LogSw

-5.83

Polar Surface Area

80.885

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with 8003-3718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3718?
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What is the minimum amount of 8003-3718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3718
  • 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 8003-3718 available by request