2083-0086 Screening compound: (4E)-1-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2083-0086 Screening compound: (4E)-1-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one
2083-0086 Screening compound: (4E)-1-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-0086
(4E)-1-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-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

2083-0086

Molecular Formula

C18H14Cl2N2O2 (C18 H14 Cl2 N2 O2)

Compound Name

(4E)-1-(3,4-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(34-dichlorophenyl)-4-[(3-methoxyphenyl)methylidene]-3-methyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\c2cc(OC)ccc2)=NN1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C18H14Cl2N2O2/c1-11-15(9-12-4-3-5-14(8-12)24-2)18(23)22(21-11)13-6-7-16(19)17(20)10-13/h3-10H,1-2H3

InChI Key

MNSCFUJOYCSJSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01157038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.887

Water Solubility, LogSw

-5.07

Polar Surface Area

33.131

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2083-0086 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 2083-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-0086?
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What is the minimum amount of 2083-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-0086
  • 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 2083-0086 available by request