1821-0043 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-4-bromo-1H-pyrazole-5-carbohydrazide

1821-0043 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-4-bromo-1H-pyrazole-5-carbohydrazide
1821-0043 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-4-bromo-1H-pyrazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1821-0043
N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-4-bromo-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

1821-0043

Molecular Formula

C12H9BrN4O3 (C12 H9 BrN4 O3)

Compound Name

N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-4-bromo-1H-pyrazole-5-carbohydrazide

IUPAC name

N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]-4-bromo-1H-pyrazole-5-carbohydrazide

SMILES

O=C(c([nH]nc1)c1Br)N/N=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C12H9BrN4O3/c13-8-5-15-16-11(8)12(18)17-14-4-7-1-2-9-10(3-7)20-6-19-9/h1-5H,6H2,(H,15,16)(H,17,18)

InChI Key

ZMJONZXRZWKDKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00421847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.89

Polar Surface Area

77.131

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1821-0043 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1821-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1821-0043?
Check Price and Availability of 1821-0043, 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 1821-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1821-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1821-0043
  • 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 1821-0043 available by request