1589-0025 Screening compound: 1-(3,4-dichlorophenyl)-4-[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione

1589-0025 Screening compound: 1-(3,4-dichlorophenyl)-4-[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione
1589-0025 Screening compound: 1-(3,4-dichlorophenyl)-4-[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1589-0025
1-(3,4-dichlorophenyl)-4-[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione

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

1589-0025

Molecular Formula

C17H12Cl2N2O4 (C17 H12 Cl2 N2 O4)

Compound Name

1-(3,4-dichlorophenyl)-4-[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione

IUPAC name

(4E)-1-(34-dichlorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrazolidine-35-dione

SMILES

COc(cc(/C=C(\C(NN1c(cc2)cc(Cl)c2Cl)=O)/C1=O)cc1)c1O

InChI

InChI=1S/C17H12Cl2N2O4/c1-25-15-7-9(2-5-14(15)22)6-11-16(23)20-21(17(11)24)10-3-4-12(18)13(19)8-10/h2-8,22H,1H3,(H,20,23)

InChI Key

HXGLQQGNMQRHCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00852406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-3.32

Polar Surface Area

66.938

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

1589-0025 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1589-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1589-0025?
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What is the minimum amount of 1589-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1589-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1589-0025
  • 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 1589-0025 available by request