4076-0175 Screening compound: 3-(5-bromothiophen-2-yl)-N'-[(E)-(furan-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

4076-0175 Screening compound: 3-(5-bromothiophen-2-yl)-N'-[(E)-(furan-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide
4076-0175 Screening compound: 3-(5-bromothiophen-2-yl)-N'-[(E)-(furan-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4076-0175
3-(5-bromothiophen-2-yl)-N'-[(E)-(furan-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

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

4076-0175

Molecular Formula

C13H9BrN4O2S (C13 H9 BrN4 O2 S)

Compound Name

3-(5-bromothiophen-2-yl)-N'-[(E)-(furan-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

IUPAC name

3-(5-bromothiophen-2-yl)-N'-[(E)-(furan-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

SMILES

O=C(c1cc(-c(s2)ccc2Br)n[nH]1)N/N=C/c1ccco1

InChI

InChI=1S/C13H9BrN4O2S/c14-12-4-3-11(21-12)9-6-10(17-16-9)13(19)18-15-7-8-2-1-5-20-8/h1-7H,(H,16,17)(H,18,19)

InChI Key

JYZLOUWGENTCRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.857

Water Solubility, LogSw

-4.09

Polar Surface Area

66.811

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4076-0175 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4076-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4076-0175?
Check Price and Availability of 4076-0175, 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 4076-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4076-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4076-0175
  • 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 4076-0175 available by request