8004-8540 Screening compound: 5-methyl-4-({[6-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)hexyl]amino}methylene)-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

8004-8540 Screening compound: 5-methyl-4-({[6-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)hexyl]amino}methylene)-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
8004-8540 Screening compound: 5-methyl-4-({[6-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)hexyl]amino}methylene)-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8540
5-methyl-4-({[6-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)hexyl]amino}methylene)-2-(4-methylphenyl)-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

8004-8540

Molecular Formula

C30H36N6O2 (C30 H36 N6 O2)

Compound Name

5-methyl-4-({[6-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)hexyl]amino}methylene)-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

3-methyl-4-({[6-({[3-methyl-1-(4-methylphenyl)-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}amino)hexyl]amino}methylidene)-1-(4-methylphenyl)-45-dihydro-1H-pyrazol-5-one

SMILES

CC(C(C1=O)=CNCCCCCCNC=C(C(C)=NN2c3ccc(C)cc3)C2=O)=NN1c1ccc(C)cc1

InChI

InChI=1S/C30H36N6O2/c1-21-9-13-25(14-10-21)35-29(37)27(23(3)33-35)19-31-17-7-5-6-8-18-32-20-28-24(4)34-36(30(28)38)26-15-11-22(2)12-16-26/h9-16,19-20,31-32H,5-8,17-18H2,1-4H3

InChI Key

OPXOZCFBEPZSDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.730

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-3.75

Polar Surface Area

77.154

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8004-8540 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8004-8540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8540?
Check Price and Availability of 8004-8540, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-8540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8540
  • 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 8004-8540 available by request