8002-4834 Screening compound: (4E)-1-(4-bromophenyl)-3-methyl-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-5-one

8002-4834 Screening compound: (4E)-1-(4-bromophenyl)-3-methyl-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-5-one
8002-4834 Screening compound: (4E)-1-(4-bromophenyl)-3-methyl-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4834
(4E)-1-(4-bromophenyl)-3-methyl-4-[(thiophen-2-yl)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

8002-4834

Molecular Formula

C15H11BrN2OS (C15 H11 BrN2 OS)

Compound Name

(4E)-1-(4-bromophenyl)-3-methyl-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-1-(4-bromophenyl)-3-methyl-4-[(thiophen-2-yl)methylidene]-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\c2cccs2)=NN1c(cc1)ccc1Br

InChI

InChI=1S/C15H11BrN2OS/c1-10-14(9-13-3-2-8-20-13)15(19)18(17-10)12-6-4-11(16)5-7-12/h2-9H,1H3

InChI Key

NEAYIVUMWOTMPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00489526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-4.06

Polar Surface Area

26.605

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8002-4834 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8002-4834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4834?
Check Price and Availability of 8002-4834, 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 8002-4834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4834
  • 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 8002-4834 available by request