4038-0285 Screening compound: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(1E)-1-{[2-(piperazin-1-yl)ethyl]imino}ethyl]-2,3-dihydro-1H-pyrazol-3-one

4038-0285 Screening compound: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(1E)-1-{[2-(piperazin-1-yl)ethyl]imino}ethyl]-2,3-dihydro-1H-pyrazol-3-one
4038-0285 Screening compound: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(1E)-1-{[2-(piperazin-1-yl)ethyl]imino}ethyl]-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4038-0285
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(1E)-1-{[2-(piperazin-1-yl)ethyl]imino}ethyl]-2,3-dihydro-1H-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

4038-0285

Molecular Formula

C24H28N6O4 (C24 H28 N6 O4)

Compound Name

5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(1E)-1-{[2-(piperazin-1-yl)ethyl]imino}ethyl]-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[(1E)-1-{[2-(piperazin-1-yl)ethyl]imino}ethyl]-23-dihydro-1H-pyrazol-3-one

SMILES

C/C(/C(C1=O)=C(c(cc2)ccc2OC)NN1c(cc1)ccc1[N+]([O-])=O)=N\CCN1CCNCC1

InChI

InChI=1S/C24H28N6O4/c1-17(26-13-16-28-14-11-25-12-15-28)22-23(18-3-9-21(34-2)10-4-18)27-29(24(22)31)19-5-7-20(8-6-19)30(32)33/h3-10,25,27H,11-16H2,1-2H3

InChI Key

DIIJGJVUORGPAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02375648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-2.83

Polar Surface Area

93.804

Acid Dissociation Constant (pKa)

3.55

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4038-0285 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4038-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4038-0285?
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What is the minimum amount of 4038-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4038-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4038-0285
  • 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 4038-0285 available by request