2083-1654 Screening compound: (4E)-1-(4-bromophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-5-one

2083-1654 Screening compound: (4E)-1-(4-bromophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-5-one
2083-1654 Screening compound: (4E)-1-(4-bromophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1654
(4E)-1-(4-bromophenyl)-3-methyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-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

2083-1654

Molecular Formula

C20H19BrN2O4 (C20 H19 BrN2 O4)

Compound Name

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

IUPAC name

(4E)-1-(4-bromophenyl)-3-methyl-4-[(345-trimethoxyphenyl)methylidene]-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\c(cc2OC)cc(OC)c2OC)=NN1c(cc1)ccc1Br

InChI

InChI=1S/C20H19BrN2O4/c1-12-16(20(24)23(22-12)15-7-5-14(21)6-8-15)9-13-10-17(25-2)19(27-4)18(11-13)26-3/h5-11H,1-4H3

InChI Key

DJJORHKATGMRML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.42

Polar Surface Area

48.565

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2083-1654 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2083-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1654?
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What is the minimum amount of 2083-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1654
  • 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 2083-1654 available by request